SCHEMBL4253111

SCHEMBL4253111

COc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 1.00
NPC1 O15118 6/20 0.83
RAB9A P51151 6/20 0.83
NLRP3 Q96P20 1/20 0.83
ADORA3 P0DMS8 1/20 0.80
KMT2A Q03164 4/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
ALDH1A1 P00352 1/20 0.78
TP53 P04637 1/20 0.78
PKM P14618 1/20 0.78
MEN1 O00255 3/20 0.78
POLB P06746 1/20 0.78
KCNK9 Q9NPC2 2/20 0.74
KCNK3 O14649 1/20 0.74
RXFP1 Q9HBX9 1/20 0.71
KDM4E B2RXH2 1/20 0.67
GAA P10253 1/20 0.67
PLAU P00749 2/20 0.67
GALK1 P51570 1/20 0.65
CASP6 P55212 1/20 0.65

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
SCHEMBL29800540 0.91 NPC1 (1.00) TRPV1NPC1RAB9ANLRP3KMT2A
SCHEMBL2176828 0.91 NPC1 (1.00) TRPV1NPC1RAB9ANLRP3KMT2A
SCHEMBL10055020 0.91 NPC1 (0.94) TRPV1NPC1RAB9ANLRP3KMT2A
SCHEMBL3035429 0.90 TRPV1 (0.82) TRPV1NPC1RAB9ANLRP3ADORA3
SCHEMBL4256368 0.88 NPC1 (1.00) TRPV1NPC1RAB9ANLRP3ADORA3
SCHEMBL1336746 0.87 TRPV1 (0.76) TRPV1NPC1RAB9ANLRP3ADORA3
SCHEMBL14082542 0.86 SMN1; SMN2 (0.76) TRPV1NPC1RAB9ANLRP3ADORA3
SCHEMBL22542833 0.85 GALK1 (0.76) TRPV1NPC1RAB9ANLRP3ADORA3
SCHEMBL4252397 0.85 NPC1 (0.83) TRPV1NPC1RAB9ANLRP3KMT2A
SCHEMBL31179863 0.85 NPC1 (0.83) TRPV1NPC1RAB9ANLRP3KMT2A

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 TRPV1 547/4885NPC1 869/4885RAB9A 733/4885

“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.