SCHEMBL3898299

SCHEMBL3898299

CC(C)(C)OC(=O)Nc1cccc(C(c2ccc(F)cc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.63
KCNA5 P22460 1/20 0.63
KCNQ1 P51787 1/20 0.63
KCND3 Q9UK17 1/20 0.63
POLB P06746 1/20 0.43
NAMPT P43490 2/20 0.41
SCN9A Q15858 5/20 0.40
LMNA P02545 3/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SYK P43405 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL1378308 0.93 KCNE1 (0.51) KCNE1KCNA5KCNQ1KCND3NAMPT
SCHEMBL3813504 0.91 KCNE1 (0.48) KCNE1KCNA5KCNQ1KCND3NAMPT
SCHEMBL3890982 0.90 KCNE1 (0.48) KCNE1KCNA5KCNQ1KCND3NAMPT
SCHEMBL1379727 0.86 KCNE1 (0.70) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL3811556 0.85 KCNA5 (0.44) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL3893788 0.84 KCNE1 (0.43) KCNE1KCNA5KCNQ1KCND3NAMPT
SCHEMBL3886253 0.84 KCNA5 (0.67) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL1377355 0.83 KCNE1 (0.67) KCNE1KCNA5KCNQ1KCND3POLB
SCHEMBL1379149 0.82 KCNE1 (0.55) KCNE1KCNA5KCNQ1KCND3TP53
SCHEMBL1380402 0.81 KCNA5 (0.56) KCNE1KCNA5KCNQ1KCND3POLB

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-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP disclosed
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 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-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias KCNN2, KCNJ2, KCNH2 KCNE1 9/4885KCNA5 14/4885KCNQ1 8/4885

“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.