SCHEMBL10121389

SCHEMBL10121389

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncs4)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
AR P10275 2/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 5/20 0.38
CNR1 P21554 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
PTPN7 P35236 1/20 0.36
DUSP3 P51452 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
SCHEMBL13191701 0.91 KMT2A (0.38) BDKRB1ARKMT2AEPHX2CNR1
SCHEMBL764412 0.86 BDKRB1 (0.53) BDKRB1L3MBTL1EPHX2HDAC1P2RX7
SCHEMBL765608 0.86 BDKRB1 (0.43) BDKRB1L3MBTL1EPHX2HDAC3HDAC4
SCHEMBL765659 0.84 BDKRB1 (0.42) BDKRB1L3MBTL1EPHX2P2RX7PTPN7
SCHEMBL12238926 0.84 BDKRB1 (0.49) BDKRB1KMT2AL3MBTL1EPHX2P2RX7
SCHEMBL764475 0.84 P2RX7 (0.40) BDKRB1KMT2AL3MBTL1EPHX2HDAC3
SCHEMBL12238932 0.84 L3MBTL1 (0.43) BDKRB1L3MBTL1EPHX2P2RX7ALDH1A1
SCHEMBL12238931 0.84 EPHX2 (0.53) BDKRB1EPHX2PTPN7DUSP3
SCHEMBL765643 0.83 BDKRB1 (0.45) BDKRB1L3MBTL1EPHX2CNR1P2RX7
SCHEMBL764435 0.83 BDKRB1 (0.45) BDKRB1L3MBTL1EPHX2P2RX7PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1/4885AR 1729/4885KMT2A 3881/4885

“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.