SCHEMBL2908877

SCHEMBL2908877

COC(=O)c1cc(O)c2cc(N)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
NQO2 P16083 6/20 0.46
LCK P06239 1/20 0.43
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
EPRS1 P07814 1/20 0.37

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
SCHEMBL5989830 0.87 NQO2 (0.47) GAANQO2MAPTTP53RAB9A
SCHEMBL2935296 0.85 GABRP (0.48) GAALCKMAPTPKMKDM4E
SCHEMBL2909497 0.83 GAA (0.43) GAANQO2LCKMAPTTP53
SCHEMBL2907367 0.83 IGFBP3 (0.48) GAANQO2MAPTALDH1A1KDM4E
SCHEMBL17769119 0.82 L3MBTL1 (0.57) GAALCKMAPTTP53SMN1; SMN2
SCHEMBL2908530 0.82 PLA2G2A (0.50) GAALCKMAPTSMN1; SMN2KDM4E
SCHEMBL2904885 0.82 GAA (0.44) GAALCKMAPTTP53RAB9A
SCHEMBL2908784 0.82 PLA2G2A (0.51) NQO2LCKSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2910558 0.82 PLA2G2A (0.54) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL13919583 0.82 LCK (0.43) GAANQO2LCKMAPTTP53

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 23 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
US-7026323-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-11 US disclosed
US-6995156-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-02-07 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
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 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 (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 GAA 3605/4885NQO2 1339/4885LCK 4675/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R GAA 3605/4885NQO2 1339/4885LCK 4675/4885
US-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF TPH1, HTR5A, KYNU GAA 3364/4885NQO2 274/4885LCK 2398/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 GAA 3639/4885NQO2 1331/4885LCK 4575/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B GAA 3343/4885NQO2 1738/4885LCK 4696/4885
US-20180136233-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS FABP2, TPH2, TPH1 GAA 4594/4885NQO2 2623/4885LCK 571/4885
US-20160130279-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS FABP2, TPH2, TPH1 GAA 4594/4885NQO2 2623/4885LCK 571/4885

“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.