SCHEMBL1379358

SCHEMBL1379358

NC(=O)c1cccc(C(c2cccnc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCND3 Q9UK17 1/20 0.46
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
SARM1 Q6SZW1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
SIRT4 Q9Y6E7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL1381534 0.91 KCNE1 (0.58) KCNA5KCNE1KCNQ1KCND3F7
SCHEMBL3893750 0.87 KCNA5 (0.39) KCNA5KCNE1KCNQ1KCND3F7
SCHEMBL1377644 0.77 KCNA5 (0.54) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL1378716 0.75 KCNA5 (0.55) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL1377886 0.74 KCNA5 (0.54) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL1381267 0.74 KCNA5 (0.54) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL3899448 0.74 KCNA5 (0.47) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL1380823 0.74 KCNA5 (0.57) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL1378751 0.74 F7 (0.47) KCNA5F7F3SARM1SIRT2
SCHEMBL5944333 0.73 KCNA5 (0.45) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US 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

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.