SCHEMBL1241003

SCHEMBL1241003

CS(=O)(=O)c1ccccc1C(NCC(F)(F)F)C(c1cccnc1)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.38
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
KCND3 Q9UK17 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
ADRB3 P13945 2/20 0.34
KCNN4 O15554 1/20 0.34
TBXAS1 P24557 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32

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
SCHEMBL1242491 0.82 EPHX2 (0.42) KCNA5KCNE1KCNQ1KCND3L3MBTL1
SCHEMBL1243230 0.80 KCNA5 (0.39) KCNA5KCNE1KCNQ1KCND3L3MBTL1
SCHEMBL1243781 0.80 KCNA5 (0.37) KCNA5KCND3L3MBTL1GAAKCNN4
SCHEMBL1240683 0.75 KCNA5 (0.51) KCNA5KCND3KCNN4
SCHEMBL1243417 0.73 POLB (0.44) KCNA5KCNE1KCNQ1KCND3L3MBTL1
SCHEMBL1242412 0.72 SLC6A2 (0.40) KCNA5KCNE1KCNQ1KCND3L3MBTL1
SCHEMBL1243327 0.72 KCNA5 (0.44) KCNA5KCND3L3MBTL1ALDH1A1
SCHEMBL1243089 0.71 SYK (0.35) KCNA5L3MBTL1GAA
SCHEMBL1242782 0.71 KCNA5 (0.45) KCNA5KCND3L3MBTL1ALDH1A1KDM4E
SCHEMBL1242131 0.70 CYP3A4 (0.43) KCNA5KCND3L3MBTL1TBXAS1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP claimed
JP-4719745-B2 2011-07-06 JP claimed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US claimed
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US claimed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP claimed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885KCNE1 23/4885KCNQ1 4/4885

“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.