SCHEMBL321946

SCHEMBL321946

Oc1ccc(-c2ccccc2C(F)(F)F)cc1-c1ccnnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
AR P10275 2/20 0.44
PGR P06401 2/20 0.44
BACE1 P56817 1/20 0.43
SCN9A Q15858 4/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
WNT3A P56704 2/20 0.41
NR3C1 P04150 1/20 0.40
TGFBR1 P36897 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL321961 0.80 NOTUM (0.49) CYP1A2
SCHEMBL321794 0.78 S1PR1 (0.49) ALOX5APFEN1PIK3CAALDH1A1CYP1A2
SCHEMBL322243 0.78 EPHX2 (0.44) ALDH1A1
SCHEMBL322193 0.77 ALOX5 (0.50) BACE1WNT3AUSP2ALDH1A1HSD17B1
SCHEMBL320908 0.76 S1PR1 (0.46) SCN9AALOX5APFEN1PIK3CAALDH1A1
SCHEMBL1690822 0.76 NOTUM (0.43) CYP3A4
SCHEMBL1690921 0.75 KCNH2 (0.42) WNT3APIK3CA
SCHEMBL321081 0.75 SCN9A (0.41) SCN9AWNT3A
SCHEMBL319582 0.75 SCN9A (0.41) SCN9AWNT3A
SCHEMBL1690538 0.75 COMT (0.47) WNT3ATGFBR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
EP-2590951-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 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-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E TRPA1 61/4885TRPM8 147/4885AR 1978/4885

“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.