SCHEMBL258449

SCHEMBL258449

[CH]=Cc1ccc([N+](=O)[O-])o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.63
KMT2A Q03164 6/20 0.63
LMNA P02545 6/20 0.63
MAPT P10636 6/20 0.63
L3MBTL1 Q9Y468 5/20 0.63
MEN1 O00255 5/20 0.63
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 1/20 0.63
MITF O75030 1/20 0.63
XBP1 P17861 1/20 0.63
RAB9A P51151 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
POLB P06746 6/20 0.56
GLO1 Q04760 1/20 0.54
CASP6 P55212 2/20 0.51
HTT P42858 2/20 0.51
CYP3A4 P08684 3/20 0.49
TP53 P04637 3/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15200988 0.82 LMNA (0.58) TDP1KMT2ALMNAMAPTL3MBTL1
SCHEMBL11429809 0.81 KMT2A (0.58) TDP1KMT2ALMNAMAPTL3MBTL1
SCHEMBL183545 0.81 KMT2A (0.66) TDP1KMT2ALMNAMAPTL3MBTL1
Ammonia Solution, Strong SCHEMBL27671164 0.79 KMT2A (0.63) TDP1KMT2ALMNAMAPTL3MBTL1
SCHEMBL5807015 0.79 TDP1 (0.63) TDP1KMT2ALMNAMAPTL3MBTL1
SCHEMBL5807014 0.79 KMT2A (0.63) TDP1KMT2ALMNAMAPTL3MBTL1
SCHEMBL258450 0.79 KMT2A (0.63) TDP1KMT2ALMNAMAPTL3MBTL1
SCHEMBL9569270 0.79 KMT2A (0.58) TDP1KMT2ALMNAMAPTL3MBTL1
Nifuroxime SCHEMBL5025023 0.76 LMNA (0.76) TDP1KMT2ALMNAMAPTL3MBTL1
Nitric Acid SCHEMBL11753070 0.76 KMT2A (0.59) TDP1KMT2ALMNAMAPTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 125 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US claimed
CN-1629145-A Condensed heteroaryl derivatives YAMANOUCHI PHARMA CO LTD (JP) 2005-06-22 CN claimed
US-20040009978-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2004-01-15 US claimed
US-20030236271-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2003-12-25 US claimed
CN-1426398-A Fused heteroaryl derivatives YAMANOUCHI PHARMA CO LTD (JP) 2003-06-25 CN claimed
EP-1277738-A1 CONDENSED HETEROARYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-01-22 EP claimed
US-20020151544-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2002-10-17 US claimed
EP-0505467-A1 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES Astra Pharmaceuticals Limited (GB) 1992-09-30 EP claimed
WO-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO claimed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4342757-A Cephalosporin antibiotic compositions MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
US-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US claimed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US claimed
US-4258040-A Cephalosporin compounds MERCK & CO., INC. (US) 1981-03-24 US claimed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US claimed
EP-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP disclosed
CN-101374843-B Triazolopyridazines as tyrosine kinase modulators JANSSEN PHARMACEUTICA NV 2012-09-05 CN disclosed
US-8173654-B2 Triazolopyridazine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-08 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8030305-B2 Triazolopyridazines as kinase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-04 US disclosed
EP-1277738-B1 CONDENSED HETEROARYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2011-03-30 EP disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-16 US disclosed
CN-101374843-A Triazolopyridazines as tyrosine kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2009-02-25 CN disclosed
EP-1966214-A1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-09-10 EP disclosed
CN-100345830-C Condensed heteroaryl derivatives YAMANOUCHI PHARMA CO LTD (JP) 2007-10-31 CN disclosed
US-20070203136-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-30 US disclosed
WO-2007075567-A1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 WO disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7037915-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20060058321-A1 Fused heterolaryl derivatives HAYAKAWA MASAHIKO 2006-03-16 US disclosed
CN-1629145-A Condensed heteroaryl derivatives YAMANOUCHI PHARMA CO LTD (JP) 2005-06-22 CN disclosed
CN-1186324-C Fused heteroaryl derivatives YAMANOUCHI PHARMA CO LTD (JP) 2005-01-26 CN disclosed
US-20050014771-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2005-01-20 US disclosed
US-6838457-B2 Fused heteroaryl derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-04 US disclosed
US-6770641-B2 Fused heteroaryl derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US disclosed
US-20040009978-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2004-01-15 US disclosed
US-20030236271-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2003-12-25 US disclosed
US-6608056-B1 Phosphatidylinositol 3-kinase inhibitors and carcinostatic agents YAMANOUCHI PHARMACEUTICAL CO., LTD (JP) 2003-08-19 US disclosed
US-6608053-B2 Phosphatidylinositol 3-kinase (PI3K) inhibitors/anticancer agents such as N-(2-(3-benzenesulfonylaminophenyl)-4-morphoniloquinazolin-6-yl)acetamide YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
CN-1426398-A Fused heteroaryl derivatives YAMANOUCHI PHARMA CO LTD (JP) 2003-06-25 CN disclosed
EP-1277738-A1 CONDENSED HETEROARYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-01-22 EP disclosed
US-20020151544-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2002-10-17 US disclosed
EP-0505467-A1 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES Astra Pharmaceuticals Limited (GB) 1992-09-30 EP disclosed
WO-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO disclosed
US-4957912-A ANTIBIOTICS MERCK & CO., INC. (US) 1990-09-18 US disclosed
US-4891370-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1990-01-02 US disclosed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US disclosed
US-RE32465-E AZA penem compounds SCHERING CORPORATION (US) 1987-07-28 US disclosed
EP-0058317-B1 PROCESS FOR THE PREPARATION OF 2-PENEM COMPOUNDS SCHERING CORPORATION (US) 1986-08-27 EP disclosed
EP-0162193-A1 Novel 2-penem-type compounds and pharmaceutical compositions contaning them SCHERING CORPORATION (US) 1985-11-27 EP disclosed
US-4518773-A \"3-Carbamoyloxy cephalosporins\ BRISTOL-MYERS COMPANY (US) 1985-05-21 US disclosed
EP-0035188-B1 2-PENEM COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHODS FOR THEIR PREPARATION SCHERING CORPORATION (US) 1985-04-17 EP disclosed
EP-0134301-A1 6-(1'-Hydroxyethyl)-3-substituted amino-1-azabicyclo(3.2.0)-hept-2-en-7-one-2-carboxylic acid MERCK & CO. INC. (US) 1985-03-20 EP disclosed
US-4465687-A ANTIARTHRITIC AGENT, ENZYME INHIBITOR MERCK & CO., INC. (US) 1984-08-14 US disclosed
US-4448782-A BACTERICIDES SCHERING CORPORATION (US) 1984-05-15 US disclosed
US-4431658-A AMINO ACID DERIVATIVE ANTIBIOTICS; ANTIBACTERICIDES SCHERING CORPORATION (US) 1984-02-14 US disclosed
US-4428960-A AMINO ACID DERIVATIVE ANTIBIOTICS MERCK & CO., INC. (US) 1984-01-31 US disclosed
US-4426520-A CEPHALOSPORIN ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1984-01-17 US disclosed
US-4424230-A CARBAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1984-01-03 US disclosed
US-4407755-A BACTERICIDAL PENICILLINS BRISTOL-MYERS COMPANY (US) 1983-10-04 US disclosed
US-4397861-A ANTIBIOTICS MERCK & CO., INC. (US) 1983-08-09 US disclosed
US-4390693-A BACTERICIDE MERCK & CO., INC. (US) 1983-06-28 US disclosed
US-4388310-A ANTIBIOTIC MERCK & CO., INC. (US) 1983-06-14 US disclosed
US-4382949-A 2-(Amino acid-thio)-1-carbapen-2-em-3-carboxylic acids and congeners SCHERING CORPORATION (US) 1983-05-10 US disclosed
US-4374849-A ANTIBIOTICS MERCK & CO., INC. (US) 1983-02-22 US disclosed
US-4374982-A Cepham compounds BRISTOL-MYERS COMPANY (US) 1983-02-22 US disclosed
US-4347183-A Process for the synthesis of penems and carbapenems SCHERING CORPORATION (US) 1982-08-31 US disclosed
EP-0058317-A1 Process for the preparation of 2-penem compounds SCHERING CORPORATION (US) 1982-08-25 EP disclosed
US-4343937-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-08-10 US disclosed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 US disclosed
US-4342757-A Cephalosporin antibiotic compositions MERCK & CO., INC. (US) 1982-08-03 US disclosed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US disclosed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US disclosed
US-4335043-A Substituted N-methylene derivatives of thienamycin MERCK & CO., INC. (US) 1982-06-15 US disclosed
US-4324890-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-04-13 US disclosed
US-4322347-A 2-Carbamoyloxymethyl-penicillin derivatives BRISTOL-MYERS COMPANY (US) 1982-03-30 US disclosed
US-4318912-A 6-(1-Hydroxyethyl)-3-substituted-1-azabicyclo(3.2.0)-hept-2-en-7-one-2-carboxylic acid MERCK & CO., INC. (US) 1982-03-09 US disclosed
US-4311704-A ANTIBIOTICS MERCK & CO., INC. (US) 1982-01-19 US disclosed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US disclosed
US-4309438-A BACTERICIDES MERCK & CO., INC. (US) 1982-01-05 US disclosed
US-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US disclosed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US disclosed
EP-0035188-A1 2-Penem compounds, pharmaceutical compositions containing them and methods for their preparation SCHERING CORPORATION (US) 1981-09-09 EP disclosed
US-4281002-A ANTIBIOTICS MERCK & CO., INC. (US) 1981-07-28 US disclosed
US-4258040-A Cephalosporin compounds MERCK & CO., INC. (US) 1981-03-24 US disclosed
US-4255423-A BACTERICIDES MERCK & CO., INC. (US) 1981-03-10 US disclosed
US-4255330-A CYCLIZATION IN THE PRESENCE OF A STRONG BASE AND A METAL COMPLEX MERCK & CO., INC. (US) 1981-03-10 US disclosed
US-4235917-A N-Alkyl-N-acyl derivatives of thienamycin MERCK & CO., INC. (US) 1980-11-25 US disclosed
US-4235920-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-11-25 US disclosed
US-4232030-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-11-04 US disclosed
US-4226870-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1980-10-07 US disclosed
US-4226866-A BACTERICIDES, ACYLATION MERCK & CO., INC. (US) 1980-10-07 US disclosed
US-4224336-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-09-23 US disclosed
US-4218459-A 6-Amido-1-carba-2-penem-3-carboxylic acid MERCK & CO., INC. (US) 1980-08-19 US disclosed
US-4218463-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-08-19 US disclosed
US-4217453-A BACTERICIDES, ANTIBIOTICS MERCK & CO., INC. (US) 1980-08-12 US disclosed
US-4215124-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-07-29 US disclosed
US-4208330-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1980-06-17 US disclosed
US-4196211-A ANTIBIOTIC MERCK & CO., INC. (US) 1980-04-01 US disclosed
US-4194047-A Substituted N-methylene derivatives of thienamycin MERCK & CO., INC. (US) 1980-03-18 US disclosed
US-4172144-A Schiff's base derivatives of thienamycin MERCK & CO., INC. (US) 1979-10-23 US disclosed
EP-0002210-A1 6- and 6,6- disubstituted-2-substituted-pen-2-em-3-carboxylic acids; processes for their preparation and pharmaceutical compositions containing such compounds MERCK & CO. INC. (US) 1979-06-13 EP disclosed
US-4154845-A ANTIBIOTIC, BACTERICIDE MERCK & CO., INC. (US) 1979-05-15 US disclosed
US-4150145-A ANTIBIOTIC, BACTERICIDES MERCK & CO., INC. (US) 1979-04-17 US disclosed
US-4150223-A ANTIBIOTICS MERCK & CO., INC. (US) 1979-04-17 US disclosed
EP-0001265-A1 O-, N- and carboxyl derivatives of thienamycin sulfoxide and sulfone, their preparation and pharmaceuticals containing said compounds MERCK & CO. INC. (US) 1979-04-04 EP disclosed
EP-0001264-A1 Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone and their preparation MERCK & CO. INC. (US) 1979-04-04 EP disclosed
US-4123528-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-10-31 US disclosed
US-4086423-A CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND MERCK & CO., INC. (US) 1978-04-25 US disclosed
US-4071529-A Derivatives of 6-aminopenicillanic acid MERCK & CO., INC. (US) 1978-01-31 US disclosed
US-4064344-A ANTIBIOTIC MERCK & CO., INC. (US) 1977-12-20 US disclosed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US disclosed
US-4035359-A 6α, β-Substituted penicillin derivatives MERCK & CO., INC. (US) 1977-07-12 US disclosed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US disclosed
US-3993643-A ANTISCHISTOSOMAL STANFORD RESEARCH INSTITUTE (US) 1976-11-23 US disclosed
US-3974151-A Cephalosporin compounds MERCK & CO., INC. (US) 1976-08-10 US disclosed
US-3947413-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-03-30 US disclosed
US-3947413-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-03-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030236271-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TDP1 3290/4885KMT2A 1722/4885LMNA 4331/4885
US-20040009978-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TDP1 3290/4885KMT2A 1722/4885LMNA 4331/4885
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TDP1 3290/4885KMT2A 1722/4885LMNA 4331/4885
US-20070203136-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS RET, MET, ABL1 TDP1 988/4885KMT2A 789/4885LMNA 4362/4885
US-20060058321-A1 Fused heterolaryl derivatives PIK3CD, PIK3C2A, PIK3R1 TDP1 3235/4885KMT2A 2553/4885LMNA 3919/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TDP1 3290/4885KMT2A 1722/4885LMNA 4331/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TDP1 3290/4885KMT2A 1722/4885LMNA 4331/4885
US-20020151544-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TDP1 3290/4885KMT2A 1722/4885LMNA 4331/4885
US-20050014771-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TDP1 3290/4885KMT2A 1722/4885LMNA 4331/4885
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS RET, MET, ABL1 TDP1 988/4885KMT2A 789/4885LMNA 4362/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.