SCHEMBL1243271

SCHEMBL1243271

Clc1cc(Cl)cc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
POLB P06746 4/20 0.47
KDM4E B2RXH2 3/20 0.47
KCNA5 P22460 5/20 0.45
GAA P10253 1/20 0.45
KCND3 Q9UK17 1/20 0.44
P2RX7 Q99572 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL1243292 0.91 POLB (0.54) ALDH1A1POLBKDM4EKCNA5GAA
SCHEMBL1240803 0.88 KCNA5 (0.52) ALDH1A1POLBKDM4EKCNA5GAA
SCHEMBL1242829 0.85 P2RX7 (0.46) ALDH1A1POLBKDM4EKCNA5GAA
SCHEMBL1242226 0.85 KCNA5 (0.45) ALDH1A1POLBKDM4EKCNA5HSD17B10
SCHEMBL1242284 0.81 KCNA5 (0.47) ALDH1A1POLBKDM4EKCNA5P2RX7
SCHEMBL1242866 0.81 MAPT (0.51) ALDH1A1POLBKDM4EKCNA5HSD17B10
SCHEMBL4344179 0.79 P2RX7 (0.53) ALDH1A1POLBKDM4EKCNA5GAA
SCHEMBL9928504 0.79 KCNA5 (0.46) ALDH1A1POLBKDM4EKCNA5P2RX7
SCHEMBL1243334 0.78 KCNA5 (0.45) ALDH1A1POLBKDM4EKCNA5HSD17B10
SCHEMBL1242039 0.78 KCNA5 (0.45) ALDH1A1POLBKDM4EKCNA5HSD17B10

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 ALDH1A1 2989/4885POLB 4819/4885KDM4E 364/4885

“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.