SCHEMBL700007

SCHEMBL700007

COC(=O)c1cccc2[nH]nc(C=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
STAT3 P40763 1/20 0.47
HIF1A Q16665 1/20 0.47
NR4A2 P43354 2/20 0.43
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
CREBBP Q92793 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RIPK1 Q13546 2/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 2/20 0.39
PTPRC P08575 1/20 0.38
POLB P06746 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL1394029 0.82 MAPT (0.49) KDM4ESTAT3HIF1ANR4A2PKN1
SCHEMBL28791345 0.82 KDM4E (0.43) KDM4ESTAT3HIF1ANR4A2PKN1
SCHEMBL6284919 0.81 PARP1 (0.43) KDM4EHIF1ALMNATSHRPIM1
SCHEMBL29954027 0.81 PARP1 (0.43) KDM4EHIF1ALMNATSHRPIM1
SCHEMBL22996547 0.81 GAA (0.50) KDM4ESTAT3HIF1ANR4A2TSHR
SCHEMBL30424394 0.81 KDM4E (0.48) KDM4ESTAT3HIF1ANR4A2PKN1
SCHEMBL19208648 0.81 KDM4E (0.48) KDM4ESTAT3HIF1ANR4A2PKN1
SCHEMBL1135530 0.81 KDM4E (0.48) KDM4ESTAT3HIF1ANR4A2PKN1
SCHEMBL701939 0.79 MAP2K4 (0.41) KDM4ESTAT3HIF1ATSHRALDH1A1
SCHEMBL702122 0.79 MAP2K4 (0.41) KDM4ESTAT3HIF1ANR4A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988379-B2 GPR40 receptor agonist, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent LG CHEM, LTD. (KR) 2018-06-05 US disclosed
EP-2766344-B1 EP1 RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-05-03 EP disclosed
US-9518015-B2 EP1 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-12-13 US disclosed
US-20150291584-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG CHEM, LTD. (KR) 2015-10-15 US disclosed
EP-2917180-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2015-09-16 EP disclosed
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
CN-104220422-A Ep1 receptor ligands ESTEVE LABOR DR 2014-12-17 CN disclosed
US-20140323475-A1 EP1 RECEPTOR LIGANDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2014-10-30 US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 US disclosed
US-7235557-B2 Compounds and their uses MGI GP, INC. (US) 2007-06-26 US disclosed
US-7235557-B2 Compounds and their uses MGI GP, INC. (US) 2007-06-26 US disclosed
US-7235557-B2 Compounds and their uses MGI GP, INC. (US) 2007-06-26 US disclosed
US-20060142266-A1 Compounds and their uses MGI GP, INC. (US) 2006-06-29 US disclosed
US-20060003987-A1 Compounds and their uses GUILFORD PHARMACEUTICALS, INC. (US) 2006-01-05 US disclosed
US-20050148575-A1 (Di)Azepino[5,4,3-cd]benzothiophenes; poly(ADP-ribose) polymerase (PARP) and glycohydrolase (PARG) inhibitor; antiinflammatory; protects cells, tissue and organs against the ill-effects of reactive free radicals and nitric oxide, and damage following focal ischemia and reperfusion injury GUILFORD PHARMACEUTICALS INC. (US) 2005-07-07 US disclosed
US-6887996-B2 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one GUILFORD PHARMACEUTICALS INC. (US) 2005-05-03 US disclosed
EP-1339402-A2 BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP disclosed
US-20030022883-A1 Compounds and their use EISAI INC. 2003-01-30 US disclosed
WO-2002044183-A2 BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 WO 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-20030022883-A1 Compounds and their use PARP1, PARP2, PARP3 KDM4E 1317/4885STAT3 2629/4885HIF1A 1799/4885
US-20060003987-A1 Compounds and their uses PARP1, PARP2, PARP3 KDM4E 1628/4885STAT3 2968/4885HIF1A 1674/4885
US-20150291584-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT GPR119, GPR65, GPR55 KDM4E 3180/4885STAT3 2008/4885HIF1A 1467/4885
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B KDM4E 3629/4885STAT3 4684/4885HIF1A 3456/4885
US-20050148575-A1 (Di)Azepino[5,4,3-cd]benzothiophenes; poly(ADP-ribose) polymerase (PARP) and glycohydrolase (PARG) inhibitor; antiinflammatory; protects cells, tissue and organs against the ill-effects of reactive free radicals and nitric oxide, and damage following focal ischemia and reperfusion injury PARP1, PARP11, PARP15 KDM4E 1317/4885STAT3 1108/4885HIF1A 403/4885
US-20060142266-A1 Compounds and their uses PARP1, PARP2, PARP3 KDM4E 1628/4885STAT3 2968/4885HIF1A 1674/4885
US-20140323475-A1 EP1 RECEPTOR LIGANDS PTGER1, PTGER2, PTGIR KDM4E 3864/4885STAT3 1393/4885HIF1A 952/4885

“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.