SCHEMBL4460408

SCHEMBL4460408

CS(=O)(=O)c1cccc(N(c2cccc(Cl)c2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.42
PDE4B Q07343 1/20 0.41
RORC P51449 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP3A4 P08684 4/20 0.39
KCNA5 P22460 2/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
DOT1L Q8TEK3 3/20 0.39
CYP3A5 P20815 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL4464155 0.94 TAAR1 (0.40) NFE2L2PDE4BRORCTAAR1CYP3A4
SCHEMBL4460448 0.92 CYP3A4 (0.44) NFE2L2TAAR1CYP3A4PTGS1PTGS2
SCHEMBL4456792 0.92 CYP3A4 (0.44) NFE2L2PDE4BRORCCYP3A4KCNA5
SCHEMBL4460584 0.90 TAAR1 (0.44) TAAR1KCNA5PTGS2
SCHEMBL4457222 0.89 TAAR1 (0.43) TAAR1KCNA5PTGS2
SCHEMBL4472068 0.87 TAAR1 (0.39) PDE4BTAAR1CYP3A4KCNA5PTGS1
SCHEMBL4461909 0.87 TAAR1 (0.39) PDE4BTAAR1CYP3A4PTGS1PTGS2
SCHEMBL4472149 0.87 TAAR1 (0.41) TAAR1KCNA5PTGS2
SCHEMBL4453068 0.85 TAAR1 (0.39) TAAR1CYP3A4KCNA5PTGS1PTGS2
SCHEMBL4472842 0.85 TAAR1 (0.40) PDE4BTAAR1CYP3A4KCNA5PTGS1

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 3 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
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US 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 NFE2L2 3320/4885PDE4B 2272/4885RORC 3636/4885

“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.