SCHEMBL4461901

SCHEMBL4461901

CS(=O)(=O)c1ccc(N(c2ccc(Cl)cc2)C(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.52
CYP19A1 P11511 1/20 0.47
CYP3A5 P20815 3/20 0.46
PTGS2 P35354 4/20 0.44
PTGS1 P23219 1/20 0.44
TBXAS1 P24557 3/20 0.42
RORC P51449 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4456792 0.89 CYP3A4 (0.44) CYP3A4CYP3A5PTGS2PTGS1RORC
SCHEMBL4460448 0.89 CYP3A4 (0.44) CYP3A4CYP19A1CYP3A5PTGS2PTGS1
SCHEMBL4468111 0.88 PTGS2 (0.43) CYP3A4CYP3A5PTGS2PTGS1ALDH1A1
SCHEMBL4458284 0.82 PTGS2 (0.44) CYP3A4PTGS2PTGS1
SCHEMBL4460408 0.80 NFE2L2 (0.42) CYP3A4CYP3A5PTGS2PTGS1RORC
SCHEMBL4464155 0.79 TAAR1 (0.40) CYP3A4CYP19A1CYP3A5PTGS2PTGS1
SCHEMBL4459544 0.79 RORC (0.47) CYP3A4CYP3A5PTGS2PTGS1RORC
SCHEMBL4457222 0.78 TAAR1 (0.43) PTGS2ALDH1A1
SCHEMBL4461909 0.77 TAAR1 (0.39) CYP3A4CYP3A5PTGS2PTGS1ALDH1A1
SCHEMBL4472068 0.77 TAAR1 (0.39) CYP3A4CYP3A5PTGS2PTGS1

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 1307/4885CYP19A1 4359/4885CYP3A5 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.