SCHEMBL1810249

SCHEMBL1810249

COc1ccc2nc(C(=O)N3CCC(S(=O)(=O)c4cccc(OC(F)(F)F)c4)CC3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.51
▸ SCN10A Q9Y5Y9 2/20 0.50
▸ SCN7A Q01118 3/20 0.48
▸ KCNH2 Q12809 3/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.45
▸ MAPK7 Q13164 1/20 0.44

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
SCHEMBL1807553 0.89 SCN9A (0.47) SCN9ASCN10ASCN7AKCNH2
SCHEMBL12188743 0.87 SCN9A (0.49) SCN9ASCN7AKCNH2HRH3
SCHEMBL1806244 0.82 SCN9A (0.46) SCN9ASCN10ASCN7AKCNH2
SCHEMBL1809041 0.81 SCN9A (0.50) SCN9ASCN10ASCN7AKCNH2HRH3
SCHEMBL1809328 0.80 SMN1; SMN2 (0.50) SCN9ASCN10ASCN7AKCNH2
SCHEMBL12100279 0.77 ELOVL6 (0.38) SCN9ASCN10AHRH3MAPK7
SCHEMBL1808102 0.76 CACNA1B (0.48) SCN9AKCNH2
SCHEMBL1810294 0.74 SCN9A (0.45) SCN9ASCN10ASCN7AKCNH2MAPK7
SCHEMBL3038099 0.74 CACNA1B (0.61) SCN9AMAPK7
SCHEMBL1807148 0.74 GPR119 (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B SCN9A 20/4885SCN10A 14/4885SCN7A 16/4885

“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.

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