SCHEMBL12188743

SCHEMBL12188743

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 13/20 0.49
▸ HRH3 Q9Y5N1 4/20 0.49
▸ GAA P10253 1/20 0.46
▸ SCN7A Q01118 4/20 0.45
▸ KCNH2 Q12809 4/20 0.45
▸ PRKAA2 P54646 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
SCHEMBL1810249 0.87 SCN9A (0.51) SCN9AHRH3SCN7AKCNH2
SCHEMBL12188601 0.85 GAA (0.49) GAA
SCHEMBL1809041 0.85 SCN9A (0.50) SCN9AHRH3GAASCN7AKCNH2
SCHEMBL12188766 0.79 SPR (0.44) GAA
SCHEMBL1807553 0.74 SCN9A (0.47) SCN9AGAASCN7AKCNH2
SCHEMBL1808456 0.73 HRH3 (0.66) SCN9AHRH3GAASCN7AKCNH2
SCHEMBL1808016 0.73 HRH3 (0.66) SCN9AHRH3GAASCN7AKCNH2
SCHEMBL1811165 0.71 CCKAR (0.40) SCN9AHRH3PRKAA2
SCHEMBL1809328 0.70 SMN1; SMN2 (0.50) SCN9AGAASCN7AKCNH2
SCHEMBL15103527 0.70 CACNA1B (0.60) SCN9ASCN7AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B SCN9A 20/4885HRH3 1010/4885GAA 1906/4885

“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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