SCHEMBL3889417

SCHEMBL3889417

Clc1cccc(C(c2ncccn2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.54
KCND3 Q9UK17 1/20 0.47
CYP19A1 P11511 3/20 0.45
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP11B1 P15538 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
NPY5R Q15761 1/20 0.40
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL1378461 0.85 KCNA5 (0.45) KCNA5KCND3CYP19A1SLC6A2SLC6A4
SCHEMBL1381075 0.82 KCNA5 (0.42) KCNA5KCND3CYP19A1SLC6A2SLC6A4
SCHEMBL1381261 0.78 CYP19A1 (0.49) KCNA5CYP19A1CYP11B1
SCHEMBL1381350 0.78 CYP19A1 (0.49) KCNA5CYP19A1CYP11B1
SCHEMBL11629773 0.78 SMN1; SMN2 (0.62) KCNA5KCND3CYP19A1SLC6A2SLC6A4
SCHEMBL6502308 0.74 CYP19A1 (0.50) KCNA5CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL3887188 0.74 CFTR (0.62) KCNA5CYP19A1SLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL6000004 0.73 CYP19A1 (0.49) KCNA5CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL3886807 0.72 KCNA5 (0.56) KCNA5KCND3CYP19A1SLC6A2SLC6A4
SCHEMBL1243292 0.72 POLB (0.54) KCNA5CYP19A1CYP11B1

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 KCNA5 14/4885KCND3 41/4885CYP19A1 4696/4885

“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.