SCHEMBL765816

SCHEMBL765816

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4conc4C)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.40
P2RX7 Q99572 1/20 0.38
PTPN7 P35236 2/20 0.37
DUSP3 P51452 2/20 0.37
AKR1C3 P42330 2/20 0.37
POLB P06746 1/20 0.37
EPHX2 P34913 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL10121081 0.85 BDKRB1 (0.42) BDKRB1P2RX7PTPN7DUSP3AKR1C3
SCHEMBL765813 0.84 CNR1 (0.42) BDKRB1KDM4ERXFP1
SCHEMBL12238935 0.83 MEN1 (0.46) BDKRB1P2RX7PTPN7DUSP3POLB
SCHEMBL765608 0.83 BDKRB1 (0.43) BDKRB1P2RX7PTPN7DUSP3POLB
SCHEMBL12238932 0.83 L3MBTL1 (0.43) BDKRB1P2RX7PTPN7DUSP3POLB
SCHEMBL756608 0.82 LMNA (0.47) BDKRB1P2RX7POLBLMNA
SCHEMBL12238931 0.82 EPHX2 (0.53) BDKRB1PTPN7DUSP3EPHX2
SCHEMBL765666 0.82 BDKRB1 (0.43) BDKRB1P2RX7PTPN7DUSP3POLB
SCHEMBL765545 0.82 DDR2 (0.44) BDKRB1P2RX7EPHX2L3MBTL1
SCHEMBL764412 0.82 BDKRB1 (0.53) BDKRB1P2RX7PTPN7DUSP3POLB

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 8 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
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 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 (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 BDKRB1 1/4885P2RX7 199/4885PTPN7 4300/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 BDKRB1 1728/4885P2RX7 2378/4885PTPN7 3376/4885

“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.