SCHEMBL757814

SCHEMBL757814

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4ccnc(OC)c4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.42
P2RX7 Q99572 1/20 0.40
EPHX2 P34913 6/20 0.40
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KLKB1 P03952 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDGFRB P09619 1/20 0.37
FLT4 P35916 1/20 0.37
F10 P00742 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
SCHEMBL756525 0.92 BDKRB1 (0.42) BDKRB1P2RX7EPHX2KDM1AHDAC1
SCHEMBL10121524 0.92 BDKRB1 (0.44) BDKRB1P2RX7EPHX2KDM1AHDAC1
SCHEMBL765544 0.92 BDKRB1 (0.42) BDKRB1P2RX7EPHX2KDM1AHDAC1
SCHEMBL765198 0.92 BDKRB1 (0.42) BDKRB1P2RX7EPHX2KDM1AHDAC1
SCHEMBL764481 0.91 BDKRB1 (0.42) BDKRB1P2RX7EPHX2KDM1AHDAC1
SCHEMBL13191595 0.91 P2RX7 (0.38) BDKRB1P2RX7EPHX2F10
SCHEMBL764460 0.89 BDKRB1 (0.44) BDKRB1P2RX7EPHX2MAPTPOLB
SCHEMBL765643 0.88 BDKRB1 (0.45) BDKRB1P2RX7EPHX2MAPTPOLB
SCHEMBL765545 0.87 DDR2 (0.44) BDKRB1P2RX7EPHX2PDGFRBFLT4
SCHEMBL12238931 0.86 EPHX2 (0.53) BDKRB1EPHX2

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 9 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
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 199/4885EPHX2 872/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 BDKRB1 1728/4885P2RX7 2378/4885EPHX2 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.