SCHEMBL4247063

SCHEMBL4247063

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

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.81
RAB9A P51151 9/20 0.74
NPC1 O15118 8/20 0.74
NLRP3 Q96P20 1/20 0.74
ALDH1A1 P00352 3/20 0.70
KCNK3 O14649 2/20 0.70
KCNK9 Q9NPC2 1/20 0.70
SMN1; SMN2 Q16637 5/20 0.69
TP53 P04637 3/20 0.69
KMT2A Q03164 2/20 0.69
PKM P14618 1/20 0.69
HTT P42858 1/20 0.69
TSHR P16473 1/20 0.68
MEN1 O00255 1/20 0.67

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
SCHEMBL30862297 0.90 RXFP1 (0.94) RXFP1RAB9ANPC1NLRP3ALDH1A1
SCHEMBL4251968 0.90 RXFP1 (0.94) RXFP1RAB9ANPC1NLRP3ALDH1A1
SCHEMBL30455725 0.87 NPC1 (0.76) RXFP1RAB9ANPC1NLRP3ALDH1A1
SCHEMBL29800540 0.85 NPC1 (1.00) RXFP1RAB9ANPC1NLRP3ALDH1A1
SCHEMBL2176828 0.85 NPC1 (1.00) RXFP1RAB9ANPC1NLRP3ALDH1A1
SCHEMBL10055020 0.85 NPC1 (0.94) RXFP1RAB9ANPC1NLRP3ALDH1A1
SCHEMBL4251405 0.84 RXFP1 (0.74) RXFP1RAB9ANPC1NLRP3ALDH1A1
SCHEMBL1816127 0.84 MEN1 (0.84) RAB9ANPC1KCNK3KCNK9SMN1; SMN2
SCHEMBL4249753 0.84 KCNK3 (0.92) RXFP1RAB9ANPC1NLRP3ALDH1A1
SCHEMBL1811681 0.83 MEN1 (0.63) RXFP1RAB9ANPC1KCNK3KCNK9

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 RXFP1 170/4885RAB9A 733/4885NPC1 869/4885

“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.