SCHEMBL4467435

SCHEMBL4467435

CS(=O)(=O)Nc1cccc(N(c2cccnc2)C(c2cccnc2)c2cccc(C#N)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
KCND3 Q9UK17 1/20 0.43
GRM5 P41594 2/20 0.38
VNN1 O95497 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALPL P05186 1/20 0.35
TGFBR1 P36897 1/20 0.35
CYP19A1 P11511 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
GLO1 Q04760 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
KCNH2 Q12809 3/20 0.34
CNR1 P21554 1/20 0.34
NR3C1 P04150 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL4457629 0.89 KCNA5 (0.52) KCNA5KCNE1KCNQ1KCND3TGFBR1
SCHEMBL4458225 0.86 KCNA5 (0.49) KCNA5KCNE1KCNQ1KCND3TGFBR1
SCHEMBL4466427 0.84 KCNA5 (0.51) KCNA5KCNE1KCNQ1KCND3TGFBR1
SCHEMBL4459552 0.80 KCNA5 (0.42) KCNA5GRM5VNN1CYP19A1KCNH2
SCHEMBL4466470 0.80 KCNA5 (0.46) KCNA5KCNE1KCNQ1KCND3CYP19A1
SCHEMBL4457249 0.79 KCNA5 (0.61) KCNA5KCNE1KCNQ1KCND3HSD11B1
SCHEMBL4460609 0.78 KCNA5 (0.46) KCNA5KCNE1KCNQ1KCND3CYP19A1
SCHEMBL4467410 0.78 KCNA5 (0.41) KCNA5GRM5VNN1CYP19A1KCNH2
SCHEMBL4462673 0.78 CYP19A1 (0.39) KCNA5GRM5VNN1CYP19A1KCNH2
SCHEMBL1378627 0.78 KCNA5 (0.68) KCNA5KCNE1KCNQ1KCND3GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 KCNA5 11/4885KCNE1 23/4885KCNQ1 12/4885

“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.