SCHEMBL12896367

SCHEMBL12896367

Clc1ccc([C@H]2CC(Br)=NO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 9/20 0.44
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MAOB P27338 3/20 0.37
PTPN1 P18031 1/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL12896360 1.00 TEAD1 (0.44) TEAD1SLC6A2SLC6A4SLC6A3PPARG
SCHEMBL12897055 0.85 TEAD1 (0.44) TEAD1SLC6A2SLC6A4SLC6A3PPARG
SCHEMBL12897050 0.85 TEAD1 (0.44) TEAD1SLC6A2SLC6A4SLC6A3PPARG
SCHEMBL12924744 0.81 TEAD1 (0.43) TEAD1PPARGPTPN1TSHR
SCHEMBL12896352 0.81 TEAD1 (0.46) TEAD1PPARGPPARAMAOBPTPN1
SCHEMBL12924739 0.81 TEAD1 (0.43) TEAD1PPARGPTPN1TSHR
SCHEMBL12896351 0.81 TEAD1 (0.46) TEAD1PPARGPPARAMAOBPTPN1
SCHEMBL12896315 0.81 TEAD1 (0.48) TEAD1MAOBPTPN1TSHR
SCHEMBL21610394 0.81 MAOB (0.43) TEAD1SLC6A2SLC6A4SLC6A3PPARG
SCHEMBL12896347 0.81 TSHR (0.53) TEAD1PPARGPPARAMAOBPTPN1

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 TEAD1 2965/4885SLC6A2 2125/4885SLC6A4 1294/4885

“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.