SCHEMBL2907367

SCHEMBL2907367

Nc1ccc2nc(C(=O)O)cc(O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 3/20 0.48
ALOX15 P16050 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
HIF1A Q16665 2/20 0.46
MEN1 O00255 1/20 0.46
TNF P01375 1/20 0.46
HSPD1 P10809 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
KDR P35968 1/20 0.46
BRCA1 P38398 1/20 0.46
RECQL P46063 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL2908877 0.83 GAA (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL975885 0.82 IGFBP5 (0.43) IGFBP3ALOX15ALDH1A1HIF1APTGS2
SCHEMBL11827386 0.81 IGFBP5 (0.47) IGFBP3ALOX15KDM4EALDH1A1HIF1A
SCHEMBL2908985 0.81 ALOX15 (0.48) IGFBP3ALOX15KDM4EALDH1A1MAPT
SCHEMBL2906699 0.80 LCK (0.46) IGFBP3ALOX15HIF1AIGFBP5TSHR
SCHEMBL11823904 0.80 IGFBP5 (0.46) IGFBP3ALOX15KDM4EALDH1A1HIF1A
SCHEMBL2908145 0.79 DHODH (0.48) IGFBP3ALDH1A1MEN1KMT2AGAA
SCHEMBL9039085 0.79 ALDH1A1 (0.48) ALOX15KDM4EALDH1A1MAPTMEN1
SCHEMBL4471851 0.79 IGFBP5 (0.41) IGFBP3ALOX15ALDH1A1HIF1AIGFBP5
SCHEMBL1305232 0.79 ALDH1A1 (0.49) IGFBP3ALDH1A1HIF1ACYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180136233-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS NESTEC S.A. (CH) 2018-05-17 US disclosed
US-9891235-B2 Pathway specific assays for predicting irritable bowel syndrome diagnosis NESTEC S.A. (CH) 2018-02-13 US disclosed
US-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2017-08-24 US disclosed
US-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2017-08-24 US disclosed
WO-2016079708-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2016-05-26 WO disclosed
US-20160130279-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS NESTEC S.A. (CH) 2016-05-12 US disclosed
US-20160130279-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS NESTEC S.A. (CH) 2016-05-12 US disclosed
EP-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 EP disclosed
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-7084142-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2004052366-A9 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AG (DE) 2005-06-23 WO disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 US disclosed
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 US disclosed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 WO disclosed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 US disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 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-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R IGFBP3 3464/4885ALOX15 789/4885KDM4E 4333/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R IGFBP3 3464/4885ALOX15 789/4885KDM4E 4333/4885
US-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF TPH1, HTR5A, KYNU IGFBP3 1601/4885ALOX15 329/4885KDM4E 2415/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 IGFBP3 3914/4885ALOX15 1084/4885KDM4E 4372/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B IGFBP3 3531/4885ALOX15 763/4885KDM4E 4378/4885
US-20180136233-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS FABP2, TPH2, TPH1 IGFBP3 1292/4885ALOX15 123/4885KDM4E 4546/4885
US-20160130279-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS FABP2, TPH2, TPH1 IGFBP3 1292/4885ALOX15 123/4885KDM4E 4546/4885

“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.