SCHEMBL12434102

SCHEMBL12434102

COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccncc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.81
KCNH2 Q12809 1/20 0.81
KCNA5 P22460 5/20 0.62
KCNK5 O95279 1/20 0.62
KCNK17 Q96T54 1/20 0.62
KCNK9 Q9NPC2 1/20 0.62
PTPN1 P18031 2/20 0.53
KMT2A Q03164 2/20 0.52
SLC6A5 Q9Y345 3/20 0.51
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL12434454 0.92 KCNK3 (0.81) KCNK3KCNH2KCNA5KCNK5KCNK17
SCHEMBL498292 0.90 KCNK3 (1.00) KCNK3KCNH2KCNA5KCNK5KCNK17
SCHEMBL29778218 0.90 KCNK3 (1.00) KCNK3KCNH2KCNA5KCNK5KCNK17
SCHEMBL12434083 0.87 KCNK3 (0.73) KCNK3KCNH2KCNA5KCNK5KCNK17
SCHEMBL12434461 0.84 KCNK3 (0.72) KCNK3KCNH2KCNA5KCNK5KCNK17
SCHEMBL12434141 0.83 KCNK3 (0.71) KCNK3KCNH2KCNA5KCNK5KCNK17
SCHEMBL12434086 0.83 KCNK3 (0.84) KCNK3KCNH2KCNA5KCNK5KCNK17
SCHEMBL12434450 0.83 KCNK3 (0.73) KCNK3KCNH2KCNA5KCNK5KCNK17
SCHEMBL12434088 0.82 KCNA5 (0.66) KCNK3KCNH2KCNA5KCNK5KCNK17
SCHEMBL12434091 0.81 KCNK3 (0.67) KCNK3KCNH2KCNA5KCNK5KCNK17

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 6 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-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 KCNK3 346/4885KCNH2 51/4885KCNA5 90/4885

“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.