SCHEMBL12896288

SCHEMBL12896288

Clc1ccccc1C1CC(Br)=NO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.42
TAAR1 Q96RJ0 1/20 0.38
TEAD1 P28347 4/20 0.38
LDHA P00338 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
RAB9A P51151 1/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
MAOB P27338 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MAPT P10636 2/20 0.35
DPP4 P27487 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12896371 1.00 TP53 (0.42) TP53RECQLTAAR1TEAD1LDHA
SCHEMBL12896365 1.00 TP53 (0.42) TP53RECQLTAAR1TEAD1LDHA
SCHEMBL2740656 0.83 TP53 (0.42) TP53RECQLTAAR1LDHAHTR2A
SCHEMBL12305009 0.83 TP53 (0.42) TP53RECQLTAAR1LDHAHTR2A
SCHEMBL12896294 0.79 TEAD1 (0.44) TAAR1TEAD1HTR2AHTR2CHTR2B
SCHEMBL12896383 0.79 TEAD1 (0.44) TAAR1TEAD1HTR2AHTR2CHTR2B
SCHEMBL12896385 0.79 TEAD1 (0.44) TAAR1TEAD1HTR2AHTR2CHTR2B
SCHEMBL12923876 0.77 CYP19A1 (0.42) TP53TEAD1HTR2AHTR2CHTR2B
SCHEMBL12923877 0.77 CYP19A1 (0.42) TP53TEAD1HTR2AHTR2CHTR2B
SCHEMBL5996586 0.77 TP53 (0.40) TP53RECQLTAAR1LDHAHTR2A

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-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 TP53 4743/4885RECQL 1115/4885TAAR1 620/4885

“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.