SCHEMBL3899482

SCHEMBL3899482

O=c1cccc(C(c2cccc(Cl)n2)C(c2cccnc2)c2cccnc2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.39
KCND3 Q9UK17 2/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
CYP19A1 P11511 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CFTR P13569 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GOPC Q9HD26 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PDE7A Q13946 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
VDR P11473 1/20 0.31
KCNH2 Q12809 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1380309 0.80 CFTR (0.45) KCNA5KCND3KCNE1KCNQ1CFTR
SCHEMBL3886037 0.72 CYP19A1 (0.43) KCNA5CYP19A1KCNH2TSHRHSD17B10
SCHEMBL1242211 0.69 KCNA5 (0.33) KCNA5KCND3KCNE1KCNQ1CYP19A1
SCHEMBL3887188 0.66 CFTR (0.62) KCNA5CYP19A1CFTRSLC6A2SLC6A4
SCHEMBL1377644 0.66 KCNA5 (0.54) KCNA5KCND3KCNE1KCNQ1CYP19A1
SCHEMBL1381267 0.66 KCNA5 (0.54) KCNA5KCND3KCNE1KCNQ1CYP19A1
SCHEMBL3899448 0.66 KCNA5 (0.47) KCNA5KCND3KCNE1KCNQ1CYP19A1
SCHEMBL1378716 0.64 KCNA5 (0.55) KCNA5KCND3KCNE1KCNQ1CYP19A1
SCHEMBL1379358 0.63 KCNA5 (0.46) KCNA5KCND3KCNE1KCNQ1CYP19A1
SCHEMBL1377886 0.63 KCNA5 (0.54) KCNA5KCND3KCNE1KCNQ1CYP19A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 41/4885KCNE1 9/4885

“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.