SCHEMBL12100104

SCHEMBL12100104

Cc1nc(-c2cccc(C3CC(S(=O)(=O)c4cccc(OC(F)(F)F)c4)CCN3C=O)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ HTT P42858 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SCN9A Q15858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 3/20 0.41
▸ USP2 O75604 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.37
▸ GFER P55789 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ HCRTR1 O43613 4/20 0.36
▸ HCRTR2 O43614 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RHOA P61586 1/20 0.34

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
SCHEMBL1812318 0.79 CACNA1B (0.48) ALDH1A1HTTLMNAMAPTKDM4E
SCHEMBL12099973 0.76 PDE10A (0.36) SCN9A
SCHEMBL12100279 0.74 ELOVL6 (0.38) MAPTSCN9A
SCHEMBL12100071 0.74 SLC40A1 (0.48) —
SCHEMBL12099695 0.73 NPY5R (0.36) HCRTR1HCRTR2
SCHEMBL12099616 0.72 CACNA1B (0.38) SCN9AHCRTR1HCRTR2
SCHEMBL19626579 0.71 SCN9A (0.67) ALDH1A1HTTMAPTKDM4ESCN9A
SCHEMBL12099936 0.69 NOTUM (0.40) —
SCHEMBL3020525 0.67 RAB9A (0.49) ALDH1A1HTTLMNAMAPTSCN9A
SCHEMBL3001854 0.66 MAPT (0.59) ALDH1A1HTTLMNAMAPTNPSR1

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 2 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 disclosed
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 ALDH1A1 787/4885HTT 956/4885LMNA 3683/4885

“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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