SCHEMBL4466935

SCHEMBL4466935

CS(=O)(=O)c1cc(N(c2cccc(Cl)c2)C(c2cccnc2)c2cccnc2)cs1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP3A5 P20815 2/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
NFE2L2 Q16236 1/20 0.34
RORC P51449 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP19A1 P11511 1/20 0.33
GRM2 Q14416 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL4458277 0.86 CYP2C19 (0.33) KCNA5CYP3A4CYP3A5PTGS1PTGS2
SCHEMBL4460408 0.83 NFE2L2 (0.42) KCNA5CYP3A4CYP3A5TRPM8PTGS1
SCHEMBL4456792 0.82 CYP3A4 (0.44) KCNA5CYP3A4CYP3A5TRPM8PTGS1
SCHEMBL4470049 0.79 KCNA5 (0.46) KCNA5TRPM8OPRM1OPRD1ALDH1A1
SCHEMBL4464155 0.78 TAAR1 (0.40) KCNA5CYP3A4CYP3A5PTGS1PTGS2
SCHEMBL4464162 0.78 KCNA5 (0.48) KCNA5TRPM8OPRM1OPRD1RORC
SCHEMBL4460448 0.76 CYP3A4 (0.44) CYP3A4CYP3A5PTGS1PTGS2NFE2L2
SCHEMBL4457675 0.73 KCNA5 (0.41) KCNA5TRPM8OPRM1OPRD1CYP19A1
SCHEMBL4460584 0.73 TAAR1 (0.44) KCNA5PTGS2GRM2
SCHEMBL4457222 0.72 TAAR1 (0.43) KCNA5PTGS2ALDH1A1GRM2

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 11/4885CYP3A4 1307/4885CYP3A5 902/4885

“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.