SCHEMBL12239019

SCHEMBL12239019

COc1ccc(Oc2ccc(CN)cc2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.52
MAOB P27338 4/20 0.50
TAAR1 Q96RJ0 3/20 0.44
ADRA1A P35348 2/20 0.44
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
KLKB1 P03952 1/20 0.42
ADRA2A P08913 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12239030 0.83 ST14 (0.52) ST14MAOBTAAR1ADRA1AKLKB1
SCHEMBL12239029 0.82 ST14 (0.50) ST14MAOBTAAR1KDM4ESMN1; SMN2
SCHEMBL12239024 0.82 ST14 (0.50) ST14MAOBTAAR1ADRA1AKDM4E
SCHEMBL12239036 0.82 ST14 (0.50) ST14MAOBTAAR1MEN1MAPT
SCHEMBL2540071 0.82 ST14 (0.50) ST14MAOB
SCHEMBL38657587 0.80 ALDH1A1 (0.56) TAAR1ADRA1AKDM4EPOLBCA12
SCHEMBL12239003 0.80 ST14 (0.47) ST14MAOBTAAR1ADRA1AKLKB1
SCHEMBL765649 0.79 ST14 (0.44) ST14TAAR1
SCHEMBL9430922 0.79 LTA4H (0.57) KDM4EPOLBCA12CA1CA2
SCHEMBL12239022 0.79 ST14 (0.50) ST14MAOBTAAR1KLKB1SMN1; SMN2

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 4 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
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

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 ST14 4642/4885MAOB 420/4885TAAR1 145/4885

“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.