SCHEMBL10121241

SCHEMBL10121241

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cccc(C)n4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 5/20 0.38
P2RX7 Q99572 1/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
MMP13 P45452 1/20 0.36
MAPT P10636 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
SCHEMBL764436 0.92 BDKRB1 (0.41) BDKRB1ALDH1A1HPGDSMN1; SMN2EPHX2
SCHEMBL764453 0.92 BDKRB1 (0.41) BDKRB1ALDH1A1HPGDSMN1; SMN2EPHX2
SCHEMBL765183 0.91 BDKRB1 (0.40) BDKRB1ALDH1A1HPGDSMN1; SMN2EPHX2
SCHEMBL12238933 0.88 P2RX7 (0.44) BDKRB1ALDH1A1SMN1; SMN2EPHX2P2RX7
SCHEMBL753444 0.87 P2RX7 (0.38) BDKRB1SMN1; SMN2EPHX2P2RX7POLB
SCHEMBL765545 0.86 DDR2 (0.44) BDKRB1EPHX2P2RX7L3MBTL1HTR1A
SCHEMBL12238931 0.85 EPHX2 (0.53) BDKRB1EPHX2PTPN7DUSP3
SCHEMBL764433 0.84 BDKRB1 (0.38) BDKRB1
SCHEMBL765198 0.84 BDKRB1 (0.42) BDKRB1ALDH1A1HPGDEPHX2P2RX7
SCHEMBL765838 0.84 P2RX7 (0.40) BDKRB1ALDH1A1HPGDEPHX2P2RX7

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 1/4885ALDH1A1 2920/4885HPGD 587/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 BDKRB1 1728/4885ALDH1A1 2738/4885HPGD 3409/4885

“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.