SCHEMBL4460448

SCHEMBL4460448

CS(=O)(=O)c1cccc(N(c2ccc(Cl)cc2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.44
CYP3A5 P20815 5/20 0.42
CYP19A1 P11511 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
TBXAS1 P24557 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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 0.92 NFE2L2 (0.42) CYP3A4CYP3A5TAAR1PTGS1PTGS2
SCHEMBL4464155 0.91 TAAR1 (0.40) CYP3A4CYP3A5CYP19A1TAAR1PTGS1
SCHEMBL4457222 0.90 TAAR1 (0.43) TAAR1PTGS2LRRK2ALDH1A1
SCHEMBL4460584 0.89 TAAR1 (0.44) TAAR1PTGS2LRRK2KDM4C
SCHEMBL4461901 0.89 CYP3A4 (0.52) CYP3A4CYP3A5CYP19A1PTGS1PTGS2
SCHEMBL4472068 0.89 TAAR1 (0.39) CYP3A4CYP3A5TAAR1PTGS1PTGS2
SCHEMBL4461909 0.89 TAAR1 (0.39) CYP3A4CYP3A5TAAR1PTGS1PTGS2
SCHEMBL4456792 0.88 CYP3A4 (0.44) CYP3A4CYP3A5PTGS1PTGS2NFE2L2
SCHEMBL4458283 0.88 KCNA5 (0.44) CYP3A4TAAR1PTGS2LRRK2KDM4C
SCHEMBL4472842 0.86 TAAR1 (0.40) CYP3A4TAAR1PTGS1PTGS2LRRK2

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 CYP3A4 1307/4885CYP3A5 902/4885CYP19A1 4359/4885

“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.