SCHEMBL1379052

SCHEMBL1379052

NC(=O)Nc1cccc(C(c2ccc(F)cc2)C(c2cccnc2F)c2cccnc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.44
KCNA5 P22460 1/20 0.44
KCNQ1 P51787 1/20 0.44
KCND3 Q9UK17 1/20 0.44
NR3C2 P08235 9/20 0.37
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
GBA1 P04062 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SCN9A Q15858 2/20 0.34
CNR2 P34972 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL1379550 0.87 KCNE1 (0.45) KCNE1KCNA5KCNQ1KCND3LMNA
SCHEMBL15005704 0.82 KCNA5 (0.56) KCNE1KCNA5KCNQ1KCND3LMNA
SCHEMBL1377355 0.81 KCNE1 (0.67) KCNE1KCNA5KCNQ1KCND3NR3C2
SCHEMBL1382054 0.80 KCNA5 (0.69) KCNE1KCNA5KCNQ1KCND3LMNA
SCHEMBL1380402 0.80 KCNA5 (0.56) KCNE1KCNA5KCNQ1KCND3LMNA
SCHEMBL15005751 0.76 KCNA5 (0.38) KCNE1KCNA5KCNQ1KCND3LMNA
SCHEMBL15005713 0.73 KCNE1 (0.39) KCNE1KCNA5KCNQ1KCND3CNR2
SCHEMBL1381478 0.73 KCNA5 (0.81) KCNE1KCNA5KCNQ1KCND3LMNA
SCHEMBL1379727 0.70 KCNE1 (0.70) KCNE1KCNA5KCNQ1KCND3LMNA
SCHEMBL13715924 0.69 KCNA5 (0.46) KCNE1KCNA5KCNQ1KCND3NR3C2

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 14 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
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US 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
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 KCNE1 9/4885KCNA5 14/4885KCNQ1 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.