SCHEMBL1243327

SCHEMBL1243327

FC(F)(F)CNC(c1cc(Cl)cc(Cl)c1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.44
KCND3 Q9UK17 1/20 0.44
CYP19A1 P11511 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTRA1 Q92743 1/20 0.34
SLC6A2 P23975 2/20 0.33
CFTR P13569 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GOPC Q9HD26 1/20 0.33

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
SCHEMBL1242782 0.91 KCNA5 (0.45) KCNA5KCND3CYP19A1L3MBTL1SLC6A4
SCHEMBL1242443 0.88 KCNA5 (0.43) KCNA5KCND3CYP19A1SLC6A4MEN1
SCHEMBL1242131 0.85 CYP3A4 (0.43) KCNA5KCND3CYP19A1L3MBTL1SLC6A4
SCHEMBL1243417 0.82 POLB (0.44) KCNA5KCND3CYP19A1L3MBTL1SLC6A4
SCHEMBL1242602 0.79 KCNA5 (0.43) KCNA5KCND3CYP19A1SLC6A4MEN1
SCHEMBL1243089 0.79 SYK (0.35) KCNA5L3MBTL1SLC6A4LMNAMAPT
SCHEMBL1240067 0.78 CYP19A1 (0.53) KCNA5CYP19A1L3MBTL1
SCHEMBL1242412 0.78 SLC6A2 (0.40) KCNA5KCND3L3MBTL1SLC6A4MEN1
SCHEMBL1243230 0.76 KCNA5 (0.39) KCNA5KCND3L3MBTL1KMT2AALDH1A1
SCHEMBL1242491 0.76 EPHX2 (0.42) 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 13 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
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO 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 11/4885KCND3 37/4885CYP19A1 4632/4885

“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.