SCHEMBL2137695

SCHEMBL2137695

COc1ccc(C(C)NC(=O)c2cc(-c3ccccc3)on2)nc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.63
RAB9A P51151 5/20 0.63
TP53 P04637 4/20 0.63
NPC1 O15118 4/20 0.63
HPGD P15428 3/20 0.63
HSD17B10 Q99714 2/20 0.57
STAT1 P42224 2/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 2/20 0.57
MME P08473 2/20 0.56
TSHR P16473 1/20 0.55
ALDH1A1 P00352 2/20 0.54
THRB P10828 2/20 0.54
NPSR1 Q6W5P4 1/20 0.53
STAT3 P40763 1/20 0.51
MLLT1 Q03111 1/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2137681 1.00 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ATP53NPC1HPGD
SCHEMBL2139024 0.86 CACNA1I (0.52) SMN1; SMN2RAB9ATP53NPC1HPGD
SCHEMBL2139041 0.86 CACNA1I (0.52) SMN1; SMN2RAB9ATP53NPC1HPGD
SCHEMBL21446987 0.79 MLLT1 (0.75) SMN1; SMN2RAB9ATP53NPC1HPGD
SCHEMBL13902162 0.75 MAPT (0.82) SMN1; SMN2RAB9ANPC1HPGDHSD17B10
SCHEMBL2134275 0.74 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL2134284 0.74 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL1058834 0.74 CACNA1I (0.57) HPGDMAPK1MAPTALDH1A1MEN1
SCHEMBL1064538 0.73 CACNA1I (0.72) SMN1; SMN2NPC1HPGDHSD17B10MAPT
SCHEMBL27851508 0.72 MLLT1 (0.58) SMN1; SMN2RAB9ATP53NPC1HPGD

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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US claimed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H SMN1; SMN2 700/4885RAB9A 1179/4885TP53 4801/4885

“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.