SCHEMBL765608

SCHEMBL765608

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cnco4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.43
POLB P06746 1/20 0.39
EPHX2 P34913 7/20 0.39
DGAT2 Q96PD7 1/20 0.38
P2RX7 Q99572 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN7 P35236 2/20 0.37
DUSP3 P51452 2/20 0.37
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PPARG P37231 3/20 0.36
ALDH1A1 P00352 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
SCHEMBL10121216 0.92 BDKRB1 (0.41) BDKRB1POLBGSK3B
SCHEMBL13191602 0.91 BDKRB1 (0.38) BDKRB1EPHX2DGAT2P2RX7PPARG
SCHEMBL764412 0.87 BDKRB1 (0.53) BDKRB1POLBEPHX2P2RX7L3MBTL1
SCHEMBL12238935 0.87 MEN1 (0.46) BDKRB1POLBEPHX2P2RX7L3MBTL1
SCHEMBL10121389 0.86 BDKRB1 (0.43) BDKRB1POLBEPHX2P2RX7L3MBTL1
SCHEMBL765813 0.86 CNR1 (0.42) BDKRB1
SCHEMBL765659 0.85 BDKRB1 (0.42) BDKRB1EPHX2P2RX7L3MBTL1PTPN7
SCHEMBL12238926 0.85 BDKRB1 (0.49) BDKRB1POLBEPHX2P2RX7L3MBTL1
SCHEMBL764477 0.85 L3MBTL1 (0.41) BDKRB1POLBEPHX2P2RX7L3MBTL1
SCHEMBL12238932 0.85 L3MBTL1 (0.43) BDKRB1POLBEPHX2P2RX7L3MBTL1

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 1/4885POLB 3215/4885EPHX2 872/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 BDKRB1 1728/4885POLB 2321/4885EPHX2 4043/4885

“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.