SCHEMBL4248632

SCHEMBL4248632

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

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.81
NPC1 O15118 8/20 0.81
ALDH1A1 P00352 4/20 0.81
TP53 P04637 3/20 0.81
SMN1; SMN2 Q16637 2/20 0.81
KMT2A Q03164 2/20 0.81
PKM P14618 1/20 0.81
NLRP3 Q96P20 1/20 0.76
RXFP1 Q9HBX9 1/20 0.73
TRPV1 Q8NER1 1/20 0.72
MAPT P10636 1/20 0.68
KCNK9 Q9NPC2 2/20 0.68
KCNK3 O14649 1/20 0.68
MEN1 O00255 1/20 0.66
MAPK1 P28482 1/20 0.64

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 0.92 NPC1 (0.94) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL4256368 0.89 NPC1 (1.00) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL4255493 0.87 RXFP1 (0.81) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL4252397 0.87 NPC1 (0.83) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL31179863 0.87 NPC1 (0.83) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL2176828 0.86 NPC1 (1.00) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL12218147 0.86 RAB9A (0.79) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL29800540 0.86 NPC1 (1.00) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL3035429 0.86 TRPV1 (0.82) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL2561599 0.85 TP53 (0.76) RAB9ANPC1ALDH1A1TP53SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 RAB9A 733/4885NPC1 869/4885ALDH1A1 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.