SCHEMBL2717547

SCHEMBL2717547

CC(=O)Nc1cc(C(=O)NCc2ccc(C)c(C(F)(F)F)c2)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
PHGDH O43175 1/20 0.45
ADORA3 P0DMS8 1/20 0.41
NR1H4 Q96RI1 3/20 0.39
SCN9A Q15858 2/20 0.39
MMP13 P45452 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
RIPK1 Q13546 1/20 0.38
ROCK2 O75116 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
SCHEMBL18266633 0.92 EPHX2 (0.40) EPHX2PHGDHADORA3NR1H4SCN9A
SCHEMBL2713055 0.90 ROCK2 (0.48) PHGDHSCN9AROCK2ROCK1
SCHEMBL2716641 0.88 ROCK2 (0.49) EPHX2ADORA3MEN1GAAKMT2A
SCHEMBL2716773 0.85 EPHX2 (0.48) EPHX2NR1H4CYP3A4
SCHEMBL2716175 0.83 ADORA3 (0.42) EPHX2ADORA3NR1H4PPARGRIPK1
SCHEMBL2715424 0.83 KMT2A (0.58) MMP13MEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL2715367 0.83 RIPK1 (0.44) EPHX2SCN9APPARGCYP3A4RIPK1
SCHEMBL18266463 0.82 PPARG (0.41) EPHX2ADORA3NR1H4SCN9APPARG
SCHEMBL2715751 0.82 MLYCD (0.51) ADORA3SCN9AMEN1PLA2G1BCYP1A2
SCHEMBL18266769 0.82 SMN1; SMN2 (0.42) EPHX2ADORA3MEN1GAAKMT2A

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 12 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
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 2460/4885PHGDH 3672/4885ADORA3 1859/4885

“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.