SCHEMBL2210653

SCHEMBL2210653

CC(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1-c1ccccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.74
POLB P06746 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGA4 P13612 2/20 0.42
ITGB7 P26010 2/20 0.42
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5697838 0.87 KCNA5 (0.59) KCNA5POLBCYP2C19MEN1KMT2A
SCHEMBL12434168 0.86 KCNA5 (1.00) KCNA5
SCHEMBL2211731 0.85 KCNA5 (0.80) KCNA5
SCHEMBL4242829 0.85 KCNA5 (0.53) KCNA5MEN1KMT2AITGA4ITGB7
SCHEMBL2211457 0.84 KCNA5 (0.78) KCNA5NPC1GAA
SCHEMBL2205331 0.75 KCNA5 (1.00) KCNA5
SCHEMBL5697894 0.73 KCNA5 (0.63) KCNA5
SCHEMBL12434226 0.73 KCNA5 (0.76) KCNA5NPC1
SCHEMBL5697869 0.73 KCNA5 (0.62) KCNA5GAA
SCHEMBL29334057 0.72 BRD4 (0.43) MEN1KMT2ANPC1

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
US-7982045-B2 2′-substituted 1,1′-biphenyl-2-carboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-19 US disclosed
US-7982045-B2 2′-substituted 1,1′-biphenyl-2-carboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-19 US disclosed
US-7982045-B2 2′-substituted 1,1′-biphenyl-2-carboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-19 US disclosed
US-20090192096-A1 2'-Substituted 1,1'-Biphenyl-2-Carboxamides, Processes For Their Preparation, Their Use As Medicaments, And Pharmaceutical Preparations Comprising Them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-30 US disclosed
US-20090192096-A1 2'-Substituted 1,1'-Biphenyl-2-Carboxamides, Processes For Their Preparation, Their Use As Medicaments, And Pharmaceutical Preparations Comprising Them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-07-30 US disclosed
US-7514582-B2 2′-substituted 1,1′-biphenyl-2-carboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-04-07 US disclosed
US-7514582-B2 2′-substituted 1,1′-biphenyl-2-carboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-04-07 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-20090192096-A1 2'-Substituted 1,1'-Biphenyl-2-Carboxamides, Processes For Their Preparation, Their Use As Medicaments, And Pharmaceutical Preparations Comprising Them MLLT3, RYR2, CACNA1E KCNA5 90/4885POLB 3619/4885CYP2C19 178/4885

“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.