SCHEMBL2760352

SCHEMBL2760352

Cc1ccc2oc(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.81
NPC1 O15118 9/20 0.81
RAB9A P51151 9/20 0.81
ALDH1A1 P00352 9/20 0.81
SMN1; SMN2 Q16637 8/20 0.81
HPGD P15428 8/20 0.81
HSD17B10 Q99714 7/20 0.81
TP53 P04637 6/20 0.81
CASP3 P42574 3/20 0.71
SENP7 Q9BQF6 3/20 0.71
SENP6 Q9GZR1 3/20 0.71
POLB P06746 2/20 0.71
SENP8 Q96LD8 2/20 0.71
MMP2 P08253 1/20 0.63
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63
MMP13 P45452 1/20 0.63
NFKB1 P19838 5/20 0.63
NFKB2 Q00653 5/20 0.63
RELA Q04206 5/20 0.63

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
SCHEMBL14947173 0.92 ALDH1A1 (0.96) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL15047797 0.90 ALDH1A1 (0.93) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3288386 0.90 ALDH1A1 (1.00) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14970115 0.87 NPC1 (0.72) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13254495 0.86 KDM4E (0.59) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10045311 0.85 ALDH1A1 (0.84) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22103734 0.84 NPC1 (0.81) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31154077 0.84 RAB9A (0.82) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL474369 0.84 RAB9A (0.82) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10061932 0.84 SMN1; SMN2 (0.81) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304409-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-11-06 US disclosed
US-8222277-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-07-17 US disclosed
US-8088762-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-01-03 US disclosed
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NICOX S.A. (IT) 2011-04-28 US disclosed
US-7883714-B2 (2R)-2,3-bis(nitrooxy)propyl(2S)-2(6-methoxy(2-naphthyl)propanoate, used for treating inflammation, pain and fever; gastrointestinal disorders; wound healing agents; preventing gastrointestinal, renal and/or respiratory toxicities; side effect reduction; kits NICOX S.A. (FR) 2011-02-08 US disclosed
US-7754772-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX, S.A. (FR) 2010-07-13 US disclosed
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-06-03 US disclosed
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
US-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA 2009-07-02 US disclosed
CN-100482717-C Polybenzole kind aryl ether monomer, copolymer and its synthesis method JINHUAN LI (CN) 2009-04-29 CN disclosed
US-20090096314-A1 ELECTRIC MOTOR HONDA MOTOR CO., LTD. (JP) 2009-04-16 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 US disclosed
CN-1869102-A Polybenzole kind aryl ether monomer, copolymer and its synthesis method LI JINHUAN (CN) 2006-11-29 CN 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 (7 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-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 KDM4E 4390/4885NPC1 1637/4885RAB9A 2590/4885
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 KDM4E 3739/4885NPC1 3502/4885RAB9A 4328/4885
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NOS2, NOS1, NOS3 KDM4E 4443/4885NPC1 2167/4885RAB9A 2614/4885
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 KDM4E 4390/4885NPC1 1637/4885RAB9A 2590/4885
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 KDM4E 4573/4885NPC1 1918/4885RAB9A 3427/4885
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 KDM4E 4390/4885NPC1 1637/4885RAB9A 2590/4885
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NOS2, NOS1, NOS3 KDM4E 1339/4885NPC1 2395/4885RAB9A 3161/4885

“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.