SCHEMBL3898320

SCHEMBL3898320

CS(=O)(=O)Nc1nccc(C(c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.50
KCNE1 P15382 1/20 0.50
KCNQ1 P51787 1/20 0.50
KCND3 Q9UK17 1/20 0.50
VNN1 O95497 4/20 0.43
KIT P10721 1/20 0.36
ALPL P05186 1/20 0.36
CYP19A1 P11511 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
GLO1 Q04760 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35
CTPS1 P17812 1/20 0.35
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 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
SCHEMBL1383218 0.87 VNN1 (0.45) KCNA5KCNE1KCNQ1KCND3VNN1
SCHEMBL1378627 0.86 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3VNN1
SCHEMBL1378630 0.86 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3VNN1
SCHEMBL1382088 0.86 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3VNN1
SCHEMBL13715750 0.86 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3VNN1
SCHEMBL1377154 0.85 KCNA5 (0.53) KCNA5KCNE1KCNQ1KCND3ALPL
SCHEMBL3893017 0.85 KCNA5 (0.53) KCNA5KCNE1KCNQ1KCND3CTPS1
SCHEMBL1381791 0.82 KCNA5 (0.60) KCNA5KCNE1KCNQ1KCND3VNN1
SCHEMBL3818719 0.81 CYP19A1 (0.42) KCNA5KCNE1KCNQ1KCND3VNN1
SCHEMBL3810697 0.81 CYP19A1 (0.42) KCNA5KCNE1KCNQ1KCND3VNN1

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 5 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
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.