SCHEMBL3886725

SCHEMBL3886725

Oc1c(Br)cccc1C(c1ccccn1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.49
KCND3 Q9UK17 2/20 0.39
GRK6 P43250 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 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
SCHEMBL3899394 0.82 KCNA5 (0.47) KCNA5KCND3GRK6GAASMN1; SMN2
SCHEMBL3813871 0.76 KCNA5 (0.45) KCNA5KCND3GRK6SMN1; SMN2ALDH1A1
SCHEMBL1382628 0.74 KCNA5 (0.54) KCNA5KCND3GRK6SMN1; SMN2ALDH1A1
SCHEMBL27176406 0.73 KCNA5 (0.54) KCNA5KCND3GAASMN1; SMN2KDM4E
SCHEMBL3892977 0.72 KCNA5 (0.47) KCNA5KCND3GAASMN1; SMN2SLC6A2
SCHEMBL1379399 0.71 KCNA5 (0.54) KCNA5KCND3GRK6SMN1; SMN2ALDH1A1
SCHEMBL1381135 0.71 KCNA5 (0.54) KCNA5KCND3GRK6SMN1; SMN2ALDH1A1
SCHEMBL1381154 0.70 KCNA5 (0.55) KCNA5KCND3SMN1; SMN2SLC6A2SLC6A4
SCHEMBL9591930 0.70 SMN1; SMN2 (0.53) KCNA5KCND3GAASMN1; SMN2LMNA
SCHEMBL15014678 0.70 KCNA5 (0.53) KCNA5KCND3SMN1; SMN2KDM4EALDH1A1

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 14/4885KCND3 41/4885GRK6 801/4885

“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.