SCHEMBL4252397

SCHEMBL4252397

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.83
RAB9A P51151 8/20 0.83
ALDH1A1 P00352 4/20 0.83
TP53 P04637 3/20 0.83
SMN1; SMN2 Q16637 3/20 0.83
PKM P14618 1/20 0.83
KMT2A Q03164 1/20 0.83
NLRP3 Q96P20 1/20 0.78
RXFP1 Q9HBX9 1/20 0.75
TRPV1 Q8NER1 1/20 0.74
NFKB1 P19838 2/20 0.74
NFKB2 Q00653 2/20 0.74
RELA Q04206 2/20 0.74
KDM4E B2RXH2 1/20 0.74
TSHR P16473 1/20 0.74
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
KCNK3 O14649 3/20 0.70

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
SCHEMBL31179863 1.00 NPC1 (0.83) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL10055020 0.94 NPC1 (0.94) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL12228183 0.91 NPC1 (0.83) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4256368 0.91 NPC1 (1.00) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL2176828 0.88 NPC1 (1.00) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL29800540 0.88 NPC1 (1.00) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL13213708 0.87 NPC1 (0.81) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL94789 0.87 NPC1 (0.81) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4250977 0.87 NPC1 (0.81) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4248632 0.87 RAB9A (0.81) NPC1RAB9AALDH1A1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4701613-A1 COSMETIC COMPOSITIONS FOR MAINTAINING AND RESTORING SKIN BARRIER FUNCTION Unilever IP Holdings B.V. (NL) 2026-03-04 EP disclosed
WO-2024223320-A1 COSMETIC COMPOSITIONS FOR MAINTAINING AND RESTORING SKIN BARRIER FUNCTION UNILEVER IP HOLDINGS B.V. (NL) 2024-10-31 WO 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
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO 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.