SCHEMBL12239059

SCHEMBL12239059

Cc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.53
HDAC1 Q13547 2/20 0.42
KDM1A O60341 1/20 0.42
PTGER4 P35408 2/20 0.41
CNR1 P21554 2/20 0.41
MAPK14 Q16539 3/20 0.40
CYP3A4 P08684 2/20 0.40
MMP13 P45452 2/20 0.40
MMP2 P08253 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
CXCR4 P61073 1/20 0.39
PTGER2 P43116 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 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
SCHEMBL12239072 0.94 BDKRB1 (0.51) BDKRB1CNR1MAPK14CYP3A4MMP13
SCHEMBL12262806 0.91 BDKRB1 (0.55) BDKRB1HDAC1KDM1APTGER4CNR1
SCHEMBL12239078 0.91 BDKRB1 (0.54) BDKRB1HDAC1KDM1AMAPK14CYP3A4
SCHEMBL2547691 0.89 BDKRB1 (0.53) BDKRB1HDAC1KDM1ACNR1
SCHEMBL10121533 0.89 BDKRB1 (0.53) BDKRB1PTGER4CNR1MAPK14CYP3A4
SCHEMBL13904093 0.89 BDKRB1 (0.53) BDKRB1HDAC1PTGER4CNR1MAPK14
SCHEMBL12239087 0.89 BDKRB1 (0.53) BDKRB1HDAC1KDM1ACNR1MAPK14
SCHEMBL765524 0.89 BDKRB1 (0.51) BDKRB1PTGER4CNR1MAPK14CYP3A4
SCHEMBL764466 0.89 BDKRB1 (0.51) BDKRB1HDAC1KDM1APTGER4CNR1
SCHEMBL12239080 0.88 BDKRB1 (0.45) BDKRB1HDAC1

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 2 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US 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 1/4885HDAC1 2252/4885KDM1A 2768/4885

“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.