SCHEMBL4464155

SCHEMBL4464155

CS(=O)(=O)c1cccc(N(c2cc(Cl)cc(Cl)c2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
CYP3A4 P08684 5/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A5 P20815 3/20 0.38
PDE4B Q07343 1/20 0.37
KCNA5 P22460 1/20 0.37
KCND3 Q9UK17 1/20 0.37
NFE2L2 Q16236 1/20 0.36
CYP19A1 P11511 1/20 0.36
RORC P51449 1/20 0.36
LRRK2 Q5S007 1/20 0.36
DOT1L Q8TEK3 1/20 0.36
SLC6A4 P31645 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL4460408 0.94 NFE2L2 (0.42) TAAR1CYP3A4PTGS1PTGS2CYP3A5
SCHEMBL4460448 0.91 CYP3A4 (0.44) TAAR1CYP3A4PTGS1PTGS2CYP3A5
SCHEMBL4460584 0.89 TAAR1 (0.44) TAAR1PTGS2KCNA5LRRK2GRM2
SCHEMBL4457222 0.88 TAAR1 (0.43) TAAR1PTGS2KCNA5LRRK2SLC6A4
SCHEMBL4472068 0.86 TAAR1 (0.39) TAAR1CYP3A4PTGS1PTGS2CYP3A5
SCHEMBL4461909 0.86 TAAR1 (0.39) TAAR1CYP3A4PTGS1PTGS2CYP3A5
SCHEMBL4456792 0.86 CYP3A4 (0.44) CYP3A4PTGS1PTGS2CYP3A5PDE4B
SCHEMBL4472149 0.86 TAAR1 (0.41) TAAR1PTGS2KCNA5LRRK2SLC6A4
SCHEMBL4453068 0.84 TAAR1 (0.39) TAAR1CYP3A4PTGS1PTGS2CYP3A5
SCHEMBL4458283 0.84 KCNA5 (0.44) TAAR1CYP3A4PTGS2KCNA5KCND3

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 TAAR1 560/4885CYP3A4 1307/4885PTGS1 3089/4885

“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.