SCHEMBL2713229

SCHEMBL2713229

CCC(=O)Nc1cc(C(=O)NCc2ccc(SC(F)(F)F)cc2)cc(C)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
NR1H4 Q96RI1 2/20 0.54
PTPRZ1 P23471 2/20 0.48
NAMPT P43490 1/20 0.44
ADORA3 P0DMS8 3/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2A P29274 1/20 0.40
PSMD14 O00487 1/20 0.39
STAMBP O95630 1/20 0.39
PTPN1 P18031 1/20 0.39
SCN9A Q15858 1/20 0.38
GAA P10253 1/20 0.38
CHRM4 P08173 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL2713728 0.84 EPHX2 (0.55) EPHX2NR1H4PTPRZ1NAMPTPSMD14
SCHEMBL2716263 0.84 EPHX2 (0.54) EPHX2NR1H4NAMPTSCN9AGAA
SCHEMBL2715325 0.82 ALDH1A1 (0.44) EPHX2ADORA3ADORA1ADORA2ASCN9A
SCHEMBL18266293 0.81 SCN9A (0.38) EPHX2NR1H4ADORA3ADORA1ADORA2A
SCHEMBL2714095 0.80 KMT2A (0.56) GAA
SCHEMBL2713034 0.79 RIPK1 (0.44) EPHX2NR1H4ADORA3ADORA1ADORA2A
SCHEMBL18266380 0.78 KMT2A (0.47) ADORA3ADORA1ADORA2AGAA
SCHEMBL2717677 0.78 PTGES (0.45) EPHX2SCN9A
SCHEMBL2715038 0.78 CACNA1H (0.41) ADORA3ADORA1ADORA2ASCN9ATP53
SCHEMBL2717262 0.78 SCN9A (0.37) EPHX2ADORA3ADORA1ADORA2ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP claimed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US claimed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US claimed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP claimed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO claimed
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A EPHX2 2460/4885NR1H4 1493/4885PTPRZ1 935/4885

“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.