SCHEMBL1242491

SCHEMBL1242491

CS(=O)(=O)c1ccc(C(NCC(F)(F)F)C(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
KCNE1 P15382 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNQ1 P51787 1/20 0.40
KCND3 Q9UK17 1/20 0.40
PTGS2 P35354 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.39
PTGS1 P23219 2/20 0.39
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL1243230 0.89 KCNA5 (0.39) EPHX2KCNE1KCNA5KCNQ1KCND3
SCHEMBL1243417 0.83 POLB (0.44) EPHX2KCNE1KCNA5KCNQ1KCND3
SCHEMBL1241003 0.82 KCNA5 (0.38) KCNE1KCNA5KCNQ1KCND3L3MBTL1
SCHEMBL1242412 0.81 SLC6A2 (0.40) KCNE1KCNA5KCNQ1KCND3L3MBTL1
SCHEMBL1240067 0.79 CYP19A1 (0.53) KCNA5L3MBTL1CYP3A4
SCHEMBL1242131 0.76 CYP3A4 (0.43) KCNA5KCND3L3MBTL1CYP3A4ALDH1A1
SCHEMBL1243327 0.76 KCNA5 (0.44) KCNA5KCND3L3MBTL1ALDH1A1LMNA
SCHEMBL1243089 0.75 SYK (0.35) KCNA5L3MBTL1LMNA
SCHEMBL1242782 0.75 KCNA5 (0.45) KCNA5KCND3L3MBTL1ALDH1A1
SCHEMBL1243781 0.72 KCNA5 (0.37) KCNA5KCND3L3MBTL1ALDH1A1LMNA

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-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP 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
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US 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 EPHX2 3824/4885KCNE1 23/4885KCNA5 11/4885

“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.