SCHEMBL3893017

SCHEMBL3893017

CS(=O)(=O)Nc1nccc(C(c2cccc(Cl)c2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
KCND3 Q9UK17 1/20 0.53
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
DOT1L Q8TEK3 2/20 0.38
CTPS1 P17812 4/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35

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
SCHEMBL1377154 0.88 KCNA5 (0.53) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL3898320 0.85 KCNA5 (0.50) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL3811576 0.83 KCNA5 (0.72) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL3886742 0.78 KCNA5 (0.65) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL1381641 0.75 KCNA5 (0.80) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL3899759 0.75 KCNA5 (0.72) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL3901024 0.75 KCNA5 (0.84) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL1380058 0.74 CYP19A1 (0.47) KCNA5KCNE1KCNQ1KCND3ABL1
SCHEMBL1383601 0.74 KCNA5 (0.67) KCNA5KCNE1KCNQ1KCND3PTGS1
SCHEMBL1377982 0.73 KCNA5 (0.57) KCNA5KCNE1KCNQ1KCND3PTGS1

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
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP disclosed
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 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
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.