SCHEMBL4249753

SCHEMBL4249753

COc1cccc(NC(=O)c2cccc(C)c2)c1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 6/20 0.92
KCNK9 Q9NPC2 5/20 0.92
RXFP1 Q9HBX9 1/20 0.83
NPC1 O15118 8/20 0.76
RAB9A P51151 8/20 0.76
NLRP3 Q96P20 1/20 0.76
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
GAA P10253 1/20 0.75
MAPT P10636 1/20 0.75
CYP2C9 P11712 1/20 0.75
CYP2C19 P33261 1/20 0.75
KCNH2 Q12809 1/20 0.74
KMT2A Q03164 2/20 0.72
SMN1; SMN2 Q16637 6/20 0.72
TP53 P04637 5/20 0.72
ALDH1A1 P00352 3/20 0.72
NFKB1 P19838 2/20 0.72
NFKB2 Q00653 2/20 0.72
RELA Q04206 2/20 0.72

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
SCHEMBL13838763 0.94 KCNK3 (0.92) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL30862297 0.91 RXFP1 (0.94) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL4251968 0.91 RXFP1 (0.94) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL23367931 0.87 CYP1A2 (0.78) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL4252397 0.87 NPC1 (0.83) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL4248125 0.87 KCNK3 (0.82) KCNK3KCNK9NPC1RAB9AMAPT
SCHEMBL31179863 0.87 NPC1 (0.83) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL2176828 0.86 NPC1 (1.00) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL29800540 0.86 NPC1 (1.00) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL10055020 0.86 NPC1 (0.94) KCNK3KCNK9RXFP1NPC1RAB9A

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 KCNK3 1019/4885KCNK9 1229/4885RXFP1 170/4885

“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.