SCHEMBL18172037

SCHEMBL18172037

Nc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1OC(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.75
SCN5A Q14524 3/20 0.51
PTGS1 P23219 2/20 0.48
GAA P10253 1/20 0.44
F10 P00742 1/20 0.44
PTGES O14684 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPK14 Q16539 1/20 0.42
FGFR4 P22455 1/20 0.42
MAPKAPK2 P49137 1/20 0.42

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
SCHEMBL18172018 0.88 SCN9A (0.72) SCN9ASCN5APTGS1GAAF10
SCHEMBL18172237 0.88 SCN9A (0.72) SCN9ASCN5APTGS1GAAF10
SCHEMBL18172235 0.88 SCN9A (0.72) SCN9ASCN5APTGS1GAAF10
SCHEMBL18172119 0.86 SCN9A (1.00) SCN9ASCN5APTGS1GAAF10
SCHEMBL18172107 0.85 SCN9A (0.80) SCN9ASCN5APTGS1GAAF10
SCHEMBL18172171 0.84 SCN9A (0.78) SCN9ASCN5APTGS1GAAF10
SCHEMBL18172191 0.83 SCN9A (0.75) SCN9ASCN5APTGS1GAAF10
SCHEMBL18172174 0.83 SCN9A (0.75) SCN9ASCN5APTGS1GAAPTGES
SCHEMBL18172036 0.82 SCN9A (0.55) SCN9ASCN5APTGS1GAAPTGES
SCHEMBL18172190 0.81 SCN9A (0.67) SCN9ASCN5AMAPTMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2018-04-19 US claimed
US-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2018-04-19 US disclosed
EP-3286178-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS Almirall S.A. (ES) 2018-02-28 EP disclosed
WO-2016170009-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2016-10-27 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-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS SCN7A, SCN1A, SCN1B SCN9A 13/4885SCN5A 4/4885PTGS1 1168/4885

“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.