SCHEMBL765655

SCHEMBL765655

O=C(NC1(C(=O)NCc2ccc(Oc3ccc(Cl)cc3F)cc2)CC1)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.45
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 4/20 0.42
HSD17B10 Q99714 4/20 0.41
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 5/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
MET P08581 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12239060 0.89 POLB (0.44) KMT2AALDH1A1MEN1TSHRLMNA
SCHEMBL765524 0.83 BDKRB1 (0.51) PTGER4ALDH1A1TSHRHPGDGAA
SCHEMBL765124 0.81 PTGER4 (0.44) PTGER4ALDH1A1HPGDGAAHTT
SCHEMBL10121264 0.77 BDKRB1 (0.49) PTGER4ALDH1A1TSHRHPGDGAA
SCHEMBL765522 0.75 BDKRB1 (0.50) PTGER4MET
Hydrochloric Acid SCHEMBL2546804 0.74 BDKRB1 (0.49) PTGER4MET
SCHEMBL765617 0.73 BDKRB1 (0.52) PTGER4ALDH1A1TSHRLMNAHPGD
SCHEMBL16368731 0.72 BDKRB1 (0.49) PTGER4ALDH1A1TSHRHPGDGAA
SCHEMBL12238924 0.72 BDKRB1 (0.51) PTGER4KMT2AALDH1A1MEN1TSHR
SCHEMBL756132 0.72 BDKRB1 (0.39) PTGER4MET

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 PTGER4 185/4885KMT2A 3881/4885ALDH1A1 2920/4885

“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.