SCHEMBL1242226

SCHEMBL1242226

Brc1cc(Br)cc(C(C(c2cccnc2)c2cccnc2)N2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.45
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1240803 0.88 KCNA5 (0.52) KCNA5ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL1243271 0.85 ALDH1A1 (0.47) KCNA5ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL1243292 0.81 POLB (0.54) KCNA5ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL1242284 0.81 KCNA5 (0.47) KCNA5ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL1242866 0.81 MAPT (0.51) KCNA5ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL1242829 0.80 P2RX7 (0.46) KCNA5ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL9928504 0.79 KCNA5 (0.46) KCNA5ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL1240337 0.79 KCNA5 (0.43) KCNA5ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL1243334 0.78 KCNA5 (0.45) KCNA5ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL1242039 0.78 KCNA5 (0.45) KCNA5ALDH1A1KDM4EHSD17B10KCNH2

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 3 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 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 11/4885ALDH1A1 2989/4885KDM4E 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.