SCHEMBL12188745

SCHEMBL12188745

Cc1nc(-c2cccc(C(=O)N3CCC(S(=O)(=O)c4cccc(O)c4)CC3)c2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ LMNA P02545 3/20 0.51
▸ HTT P42858 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ RHOA P61586 2/20 0.49
▸ GAA P10253 3/20 0.49
▸ USP2 O75604 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HPGD P15428 3/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MGLL Q99685 5/20 0.44
▸ GFER P55789 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL1807329 0.88 RHOA (0.60) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL1812318 0.85 CACNA1B (0.48) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL19626652 0.78 ALDH1A1 (0.74) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL15219362 0.76 ALDH1A1 (0.59) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL19626657 0.76 HPGD (0.76) ALDH1A1MAPTKDM4ERHOAGAA
SCHEMBL1807091 0.73 RHOA (0.60) ALDH1A1HTTRHOAGAAUSP2
SCHEMBL3322009 0.71 HSD17B1 (0.68) ALDH1A1HTTMAPTKDM4EGAA
SCHEMBL13952827 0.70 ALDH1A1 (0.50) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL12188601 0.69 GAA (0.49) ALDH1A1LMNAHTTMAPTGAA
SCHEMBL12188766 0.69 SPR (0.44) ALDH1A1KDM4EGAAMGLL

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

“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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