SCHEMBL498662

SCHEMBL498662

O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 17/20 1.00
KCNA3 P22001 2/20 1.00
KCNK3 O14649 2/20 1.00
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2210100 0.93 KCNA5 (0.86) KCNA5KCNA3KCNK3HTTKCNH2
SCHEMBL12434433 0.93 KCNA5 (0.86) KCNA5KCNA3KCNK3KCNH2
SCHEMBL12434025 0.91 KCNA5 (0.83) KCNA5KCNA3KCNK3LMNAHTT
SCHEMBL2207062 0.90 KCNA5 (0.82) KCNA5KCNA3KCNK3
SCHEMBL2209570 0.88 KCNA5 (0.77) KCNA5KCNA3KCNK3KCNH2
SCHEMBL12434195 0.86 KCNA5 (0.75) KCNA5KCNA3KCNK3KCNH2ALDH1A1
SCHEMBL12434122 0.86 KCNA5 (0.75) KCNA5KCNA3KCNK3LMNAHTT
SCHEMBL3162863 0.85 KCNA5 (0.75) KCNA5KCNA3KCNK3LMNAALDH1A1
SCHEMBL2205197 0.85 KCNA5 (0.73) KCNA5KCNA3KCNK3LMNAHTT
SCHEMBL12434193 0.84 KCNA5 (0.73) KCNA5KCNA3KCNK3HTTKCNH2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4658919-B2 2011-03-23 JP claimed
US-20070043091-A1 Kv1.5-BLOCKER FOR THE SELECTIVE INCREASE OF ATRIAL CONTRACTILITY AND TREATMENT OF CARDIAC INSUFFICIENCY SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-02-22 US claimed
JP-2006520342-A 2006-09-07 JP claimed
EP-1605976-A1 PHENYLCARBOXYL ACID AMIDES AND IK r CHANNEL INHIBITORS COMBINATION AND THE USE THEREOF FOR TREATING ATRIAL ARRHYTHMIA Sanofi-Aventis Deutschland GmbH (DE) 2005-12-21 EP claimed
US-20050054673-A1 Combination of phenylcarboxylic acid amides with beta-adrenoreceptor blockers and their use for the treatment of atrial arrhythmias AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-10 US claimed
US-20050038083-A1 Combination of phenylcarboxamides with blockers of the IKr channel and their use for the treatment of atrial arrhythmias AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-17 US claimed
WO-2004082716-A1 PHENYLCARBOXYL ACID AMIDES AND IKr CHANNEL INHIBITORS COMBINATION AND THE USE THEREOF FOR TREATING ATRIAL ARRHYTHMIA SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-09-30 WO claimed
US-8106099-B2 2'-{[2-(4-methoxyphenyl)acetylamino]methyl}biphenyl-2-carboxylic acid (2-pyridin-3-ylethyl)amide or other phenylcarboxamide derivatives with dofetilide, ibutilide, almokalant, sotalol, azimilide, amiodarone, E4031, clofilium, ambasilide, MS551, tedisamil, bertosamil and quinidine as IKr chahel blocker SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-01-31 US disclosed
US-8106099-B2 2'-{[2-(4-methoxyphenyl)acetylamino]methyl}biphenyl-2-carboxylic acid (2-pyridin-3-ylethyl)amide or other phenylcarboxamide derivatives with dofetilide, ibutilide, almokalant, sotalol, azimilide, amiodarone, E4031, clofilium, ambasilide, MS551, tedisamil, bertosamil and quinidine as IKr chahel blocker SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-01-31 US disclosed
US-8106099-B2 2'-{[2-(4-methoxyphenyl)acetylamino]methyl}biphenyl-2-carboxylic acid (2-pyridin-3-ylethyl)amide or other phenylcarboxamide derivatives with dofetilide, ibutilide, almokalant, sotalol, azimilide, amiodarone, E4031, clofilium, ambasilide, MS551, tedisamil, bertosamil and quinidine as IKr chahel blocker SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-01-31 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-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-20070043091-A1 Kv1.5-BLOCKER FOR THE SELECTIVE INCREASE OF ATRIAL CONTRACTILITY AND TREATMENT OF CARDIAC INSUFFICIENCY SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-02-22 US disclosed
US-20050054673-A1 Combination of phenylcarboxylic acid amides with beta-adrenoreceptor blockers and their use for the treatment of atrial arrhythmias AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-10 US disclosed
US-20050038083-A1 Combination of phenylcarboxamides with blockers of the IKr channel and their use for the treatment of atrial arrhythmias AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-17 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 (5 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-20050038083-A1 Combination of phenylcarboxamides with blockers of the IKr channel and their use for the treatment of atrial arrhythmias KCNH2, KCNJ2, KCNH1 KCNA5 6/4885KCNA3 17/4885KCNK3 33/4885
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 104/4885KCNA3 107/4885KCNK3 396/4885
US-20050054673-A1 Combination of phenylcarboxylic acid amides with beta-adrenoreceptor blockers and their use for the treatment of atrial arrhythmias SCN5A, KCNH1, KCNA5 KCNA5 3/4885KCNA3 37/4885KCNK3 84/4885
US-20070043091-A1 Kv1.5-BLOCKER FOR THE SELECTIVE INCREASE OF ATRIAL CONTRACTILITY AND TREATMENT OF CARDIAC INSUFFICIENCY KCNJ2, KCNH2, KCNK5 KCNA5 4/4885KCNA3 24/4885KCNK3 31/4885
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 97/4885KCNA3 101/4885KCNK3 383/4885

“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.