SCHEMBL222553

SCHEMBL222553

CN(C)c1ccc(NC=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
CYP2A6 P11509 1/20 0.52
CYP2A13 Q16696 1/20 0.52
MAPT P10636 9/20 0.51
ALDH1A1 P00352 8/20 0.51
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
GAA P10253 5/20 0.51
KDM4E B2RXH2 4/20 0.51
THRB P10828 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 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
SCHEMBL16519676 0.90 RELA (0.55) LMNACYP2A6CYP2A13MAPTALDH1A1
SCHEMBL2012851 0.89 ALDH1A1 (0.53) LMNACYP2A6CYP2A13MAPTALDH1A1
SCHEMBL18160763 0.83 LMNA (0.52) LMNACYP2A6CYP2A13MAPTALDH1A1
SCHEMBL469386 0.80 ALDH1A1 (0.72) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL9785851 0.78 CYP2A6 (0.48) LMNACYP2A6CYP2A13MAPTALDH1A1
SCHEMBL10133321 0.78 ALDH1A1 (0.56) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL11810925 0.78 LMNA (0.47) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL20649359 0.77 ALDH1A1 (0.56) LMNACYP2A6CYP2A13MAPTALDH1A1
SCHEMBL224556 0.77 ALDH1A1 (0.59) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL18654163 0.77 HDAC6 (0.60) LMNACYP2A6CYP2A13MAPTALDH1A1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US claimed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-4438136-A INHIBITION OF THROMBOXANE ACTIVITY NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-20 US claimed
EP-0013608-B1 SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-06-15 EP claimed
EP-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed
WO-2019196111-A1 ANTI-TUMOR MULTIDRUG RESISTANCE OF HETEROARYL AMIDE COMPOUND, USE IN TREATMENT OF CANCERS AND PROTEIN-DRUG MOLECULAR COMPLEX 上海交通大学医学院附属瑞金医院 2019-10-17 WO disclosed
EP-3444031-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-02-20 EP disclosed
EP-2200439-B1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY INC (US) 2017-03-22 EP disclosed
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-6136081-A PRINTING WITH A DYE MIXTURE COMPRISING HUMECTANT AND A CO-MILLED COLOR MIXTURE OF PIGMENT YELLOW 74 AND AN ORGANIC PIGMENT WITH STRUCTURE SIMILAR TO THE PRIMARY DYE, RESULTING DISPERSION IS RESISTANT TO PARTICLE RIPENING EASTMAN KODAK COMPANY (US) 2000-10-24 US disclosed
US-6132501-A AQUEOUS INK JET INK COMPRISING A HUMECTANT AND A COMILLED MIXTURE OF PIGMENT YELLOW 74(PY74) AND AN AZO-METHINE DYE OF GIVEN FORMULA WHICH PREVENTS RIPENING(INCREASE IN PARTICLE SIZE) OF PY74 EASTMAN KODAK COMPANY (US) 2000-10-17 US disclosed
EP-0540854-B1 Preparation for promoting hair growth SANSHO SEIYAKU KK (JP) 1998-01-21 EP disclosed
US-5656264-A ADMINISTERING TO THE SCALP OF THE MALE A PREPERATION CONSITING OF 6-BENZYLAMINOPURINE SANSYO SEIYAKU CO., LTD. (JP) 1997-08-12 US disclosed
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed
EP-0540854-A2 Preparation for promoting hair growth Sansho Seiyaku Co., Ltd. (JP) 1993-05-12 EP disclosed
EP-0108570-A2 Disazo dyestuffs for cellulose-containing fibres and process for preparing the dyestuff MITSUBISHI KASEI CORPORATION (JP) 1984-05-16 EP 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 (1 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-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK LMNA 4575/4885CYP2A6 2448/4885CYP2A13 1887/4885

“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.