SCHEMBL3886253

SCHEMBL3886253

CNC(=O)Nc1cccc(C(c2ccc(F)cc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.67
KCNE1 P15382 1/20 0.67
KCNQ1 P51787 1/20 0.67
KCND3 Q9UK17 1/20 0.67
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
GBA1 P04062 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.40
GCK P35557 1/20 0.40
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SCN9A Q15858 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
SCHEMBL1379727 0.89 KCNE1 (0.70) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL1377355 0.87 KCNE1 (0.67) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL1382201 0.87 KCNA5 (0.51) KCNA5KCNE1KCNQ1KCND3NPC1
SCHEMBL3895813 0.84 KCNA5 (0.47) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL3898299 0.84 KCNE1 (0.63) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL1379524 0.82 KCNE1 (0.45) KCNA5KCNE1KCNQ1KCND3GCK
SCHEMBL1381987 0.81 KCNA5 (0.64) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL1379744 0.81 KCNA5 (1.00) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL1381561 0.81 KCNA5 (1.00) KCNA5KCNE1KCNQ1KCND3POLB
SCHEMBL1378597 0.81 KCNA5 (1.00) KCNA5KCNE1KCNQ1KCND3POLB

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 5 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
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 KCNA5 14/4885KCNE1 9/4885KCNQ1 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.