SCHEMBL1383601

SCHEMBL1383601

CS(=O)(=O)Nc1cccc(C(c2cccnc2)C(c2ccc(Cl)cc2)c2ccnc(N)n2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.67
KCNE1 P15382 1/20 0.67
KCNQ1 P51787 1/20 0.67
KCND3 Q9UK17 1/20 0.67
CYP3A4 P08684 4/20 0.39
CYP3A5 P20815 3/20 0.39
CYP19A1 P11511 1/20 0.38
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AOC3 Q16853 1/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PTK2 Q05397 1/20 0.34
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL1381641 0.91 KCNA5 (0.80) KCNA5KCNE1KCNQ1KCND3CYP3A4
SCHEMBL1378615 0.84 CYP19A1 (0.51) KCNA5KCNE1KCNQ1KCND3CYP3A4
SCHEMBL1378480 0.84 KCNA5 (0.69) KCNA5KCNE1KCNQ1KCND3CYP3A4
SCHEMBL1377762 0.83 CYP19A1 (0.50) KCNA5KCNE1KCNQ1KCND3CYP3A4
SCHEMBL3901024 0.83 KCNA5 (0.84) KCNA5KCNE1KCNQ1KCND3ALDH1A1
SCHEMBL1382184 0.82 KCNA5 (0.53) KCNA5KCNE1KCNQ1KCND3CYP3A4
SCHEMBL1381563 0.82 KCNA5 (0.83) KCNA5KCNE1KCNQ1KCND3ALDH1A1
SCHEMBL15005717 0.82 KCNA5 (0.46) KCNA5KCNE1KCNQ1KCND3CYP3A4
SCHEMBL1381144 0.81 KCNA5 (0.46) KCNA5KCNE1KCNQ1KCND3CYP3A4
SCHEMBL3886742 0.81 KCNA5 (0.65) KCNA5KCNE1KCNQ1KCND3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP claimed
JP-4719744-B2 2011-07-06 JP claimed
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP claimed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP claimed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 US claimed
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP disclosed
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP disclosed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 US disclosed
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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 (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-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias KCNN2, KCNJ2, KCNH2 KCNA5 14/4885KCNE1 9/4885KCNQ1 8/4885

“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.