SCHEMBL765637

SCHEMBL765637

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)CC#N)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.43
PLA2G7 Q13093 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
PTPN7 P35236 2/20 0.39
DUSP3 P51452 2/20 0.39
EPHX2 P34913 5/20 0.38
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
BDKRB1 P46663 1/20 0.36

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
SCHEMBL2852201 0.91 AR (0.40) ARPLA2G7L3MBTL1PTPN7DUSP3
SCHEMBL3724229 0.89 AR (0.39) ARPLA2G7EPHX2P2RX7
SCHEMBL764477 0.89 L3MBTL1 (0.41) ARL3MBTL1PTPN7DUSP3EPHX2
SCHEMBL10121227 0.89 EPHX2 (0.44) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL12238928 0.88 L3MBTL1 (0.41) ARL3MBTL1PTPN7DUSP3EPHX2
SCHEMBL765182 0.88 L3MBTL1 (0.41) ARL3MBTL1PTPN7DUSP3EPHX2
SCHEMBL10121393 0.88 L3MBTL1 (0.41) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL758301 0.88 EPHX2 (0.41) L3MBTL1PTPN7DUSP3EPHX2P2RX7
SCHEMBL765557 0.87 L3MBTL1 (0.40) ARL3MBTL1PTPN7DUSP3EPHX2
SCHEMBL10121349 0.87 L3MBTL1 (0.40) ARL3MBTL1PTPN7DUSP3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 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 (2 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB AR 1729/4885PLA2G7 883/4885L3MBTL1 2516/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 AR 1152/4885PLA2G7 4498/4885L3MBTL1 828/4885

“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.