SCHEMBL4251069

SCHEMBL4251069

COc1cccc(NC(=O)c2ccc(N(C)C)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.76
RAB9A P51151 6/20 0.76
ALDH1A1 P00352 4/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
KMT2A Q03164 2/20 0.76
TP53 P04637 1/20 0.76
PKM P14618 1/20 0.76
ROCK2 O75116 1/20 0.74
NLRP3 Q96P20 1/20 0.72
KCNK3 O14649 3/20 0.70
RXFP1 Q9HBX9 1/20 0.69
TRPV1 Q8NER1 1/20 0.69
KCNK9 Q9NPC2 2/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 1/20 0.62
MAPK1 P28482 1/20 0.62
MEN1 O00255 1/20 0.61
HPGD P15428 1/20 0.61

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
SCHEMBL10055020 0.90 NPC1 (0.94) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL4256368 0.87 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL5180476 0.86 NPC1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL4249738 0.85 NPC1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL4252397 0.84 NPC1 (0.83) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL31179863 0.84 NPC1 (0.83) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL21376593 0.84 NPC1 (0.72) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL29800540 0.84 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL2176828 0.84 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL8086822 0.83 ROCK2 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 NPC1 869/4885RAB9A 733/4885ALDH1A1 204/4885

“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.