SCHEMBL12238995

SCHEMBL12238995

NCc1ccc(Oc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.46
LOX P28300 2/20 0.46
MAOB P27338 2/20 0.44
TTR P02766 2/20 0.44
ST14 Q9Y5Y6 1/20 0.41
DPP4 P27487 1/20 0.41
STK39 Q9UEW8 1/20 0.40
HRH1 P35367 1/20 0.39
RAF1 P04049 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 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
SCHEMBL10121117 0.85 L3MBTL1 (0.51) MAOBST14
SCHEMBL3900976 0.84 TTR (0.64) TTRSTK39RAF1LPAR1LPAR5
SCHEMBL20857064 0.81 NR1H3 (0.46) TTRSTK39RAF1LPAR1LPAR5
SCHEMBL923193 0.81 MAOB (0.57) LOXL2LOXMAOBST14DPP4
SCHEMBL919975 0.80 FDFT1 (0.51) LOXL2LOXMAOBDPP4LPAR1
SCHEMBL765641 0.79 ST14 (0.46) LOXL2LOXMAOBST14
SCHEMBL12239032 0.79 ST14 (0.46) MAOBST14CYP1A2CYP2C9CYP2C19
SCHEMBL12239027 0.79 ST14 (0.46) LOXL2LOXMAOBST14
SCHEMBL756590 0.79 L3MBTL1 (0.48) MAOBST14
SCHEMBL921313 0.79 ROCK2 (0.50) LOXL2LOXMAOBTTRST14

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 5 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
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 LOXL2 3469/4885LOX 2386/4885MAOB 420/4885

“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.