SCHEMBL4854629

SCHEMBL4854629

Nc1cccc(CNC(=O)Nc2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.76
ROCK2 O75116 2/20 0.62
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.57
MAOB P27338 1/20 0.57
HTT P42858 1/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
DDX3X O00571 1/20 0.56
MAPT P10636 3/20 0.55
AURKA O14965 1/20 0.54
AURKB Q96GD4 1/20 0.54

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
SCHEMBL2747411 0.91 DDX3X (0.65) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL3651783 0.91 NAMPT (0.72) NAMPTROCK2NPC1RAB9ASMN1; SMN2
SCHEMBL2704691 0.89 MAPT (0.66) NAMPTROCK2NPC1RAB9AMEN1
SCHEMBL4865811 0.88 NAMPT (0.65) NAMPTROCK2NPC1RAB9AMEN1
SCHEMBL163263 0.87 NAMPT (1.00) NAMPTROCK2CA1CA2CA12
SCHEMBL15939311 0.85 NAMPT (0.59) NAMPTROCK2SMN1; SMN2MAOBDDX3X
SCHEMBL29738559 0.85 NAMPT (0.59) NAMPTROCK2SMN1; SMN2MAOBDDX3X
SCHEMBL307447 0.84 ROCK2 (0.68) NAMPTROCK2MEN1KMT2AMAPT
SCHEMBL2831462 0.84 NPC1 (0.77) NAMPTROCK2NPC1RAB9AMEN1
SCHEMBL3461361 0.83 CA2 (0.68) NAMPTROCK2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3309146-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2018-04-18 EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-7384963-B2 2′-Methyl-5-(1,3,4-oxadiazol-2-yl)1, 1′-biphenyl-4-carboxaide derivatives and their use as p38 kinase GLAXO GROUP LIMITED (GB) 2008-06-10 US disclosed
US-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-30 US disclosed
EP-1435949-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032986-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 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 (2 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 NAMPT 2698/4885ROCK2 4/4885NPC1 3330/4885
US-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors MAPK1, MAPK3, MAPK6 NAMPT 4616/4885ROCK2 151/4885NPC1 3322/4885

“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.