SCHEMBL4242829

SCHEMBL4242829

CC(C)(C)OC(=O)NCc1ccccc1-c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.53
MAPT P10636 7/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
GAA P10253 2/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
ALOX5 P09917 1/20 0.41
RAB9A P51151 1/20 0.41
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2210653 0.85 KCNA5 (0.74) KCNA5KMT2AMEN1GAAITGA4
SCHEMBL498661 0.83 KCNA5 (0.67) KCNA5RAB9AMAPK1HTT
SCHEMBL4243189 0.83 KCNA5 (0.56) KCNA5
SCHEMBL4240163 0.82 KCNA5 (0.55) KCNA5GAASMN1; SMN2RAB9AALDH1A1
SCHEMBL5697838 0.78 KCNA5 (0.59) KCNA5MAPTKMT2AMEN1GAA
SCHEMBL30290973 0.78 KCNA5 (0.47) KCNA5MAPTKMT2AMEN1ITGA4
SCHEMBL12330621 0.76 ALOX5 (0.48) MAPTKMT2AMEN1GAAITGA4
SCHEMBL4610695 0.76 ALDH1A1 (0.46) MAPTKMT2AMEN1ITGA4ITGB7
SCHEMBL14907666 0.76 MGLL (0.54) KCNA5KMT2AMEN1GAAITGA4
SCHEMBL1808874 0.75 KCNA5 (0.56) KCNA5KMT2AMEN1GAANPC1

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-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-20040102513-A1 2'-Substituted 1,1'-biphenyl-2-carboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2004-05-27 US disclosed
US-6686395-B2 THERAPY OF A CARDIAC ARRYTHMIA WHICH CAN BE ELIMINATED BY ACTION POTENTIAL PROLONGATION; POTASSIUM CHANNEL MODULATOR AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-03 US disclosed
US-20030171351-A1 2'-substituted 1,1'-biphenyl-2-carboxamides, process for their preparation, their use as medicaments, and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2003-09-11 US disclosed
US-6531495-B1 Potassium channel AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-03-11 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 (3 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-20030171351-A1 2'-substituted 1,1'-biphenyl-2-carboxamides, process for their preparation, their use as medicaments, and pharmaceutical preparations comprising them MLLT3, RYR2, KCNH1 KCNA5 104/4885MAPT 4809/4885KMT2A 1459/4885
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 90/4885MAPT 4796/4885KMT2A 1473/4885
US-20040102513-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 97/4885MAPT 4806/4885KMT2A 1498/4885

“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.