SCHEMBL4458217

SCHEMBL4458217

CS(=O)(=O)c1cccc(N(c2cccc(NC(=O)O)n2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.40
CYP2C9 P11712 2/20 0.40
BRAF P15056 1/20 0.39
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
KCNA5 P22460 2/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
KCND3 Q9UK17 1/20 0.37
VNN1 O95497 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
GRM2 Q14416 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4468137 0.86 GAA (0.36) NAMPTCYP2C9GAAHPGDKCNA5
SCHEMBL4461864 0.86 SMN1; SMN2 (0.38) NAMPTCYP2C9KCNA5L3MBTL1LMNA
SCHEMBL4461814 0.82 NAMPT (0.36) NAMPTCYP2C9BRAFGAAHPGD
SCHEMBL4472831 0.82 TAAR1 (0.38) NAMPTKCNA5KCNE1KCNQ1KCND3
SCHEMBL4453054 0.82 TAAR1 (0.38) NAMPTKCNA5KCNE1KCNQ1KCND3
SCHEMBL4457222 0.80 TAAR1 (0.43) NAMPTCYP2C9GAAKCNA5ALDH1A1
SCHEMBL4456765 0.80 POLB (0.42) GAAKCNA5KCNE1KCNQ1KCND3
SCHEMBL4466427 0.79 KCNA5 (0.51) KCNA5KCNE1KCNQ1KCND3GRM2
SCHEMBL4460584 0.79 TAAR1 (0.44) NAMPTBRAFGAAHPGDKCNA5
SCHEMBL4457629 0.78 KCNA5 (0.52) NAMPTGAAHPGDKCNA5KCNE1

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-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

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 NAMPT 2263/4885CYP2C9 1842/4885BRAF 2194/4885

“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.