SCHEMBL4472149

SCHEMBL4472149

CS(=O)(=O)c1cccc(N(c2cccnc2)C(c2ccccc2)c2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
GRM2 Q14416 5/20 0.41
KCNA5 P22460 2/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CFTR P13569 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GOPC Q9HD26 1/20 0.38
CYP2C9 P11712 1/20 0.38
NAMPT P43490 1/20 0.38
LRRK2 Q5S007 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL4460584 0.96 TAAR1 (0.44) TAAR1GRM2KCNA5PTGS2GAA
SCHEMBL4457222 0.95 TAAR1 (0.43) TAAR1GRM2KCNA5PTGS2ALDH1A1
SCHEMBL4472842 0.88 TAAR1 (0.40) TAAR1GRM2KCNA5PTGS2ALDH1A1
SCHEMBL4460408 0.87 NFE2L2 (0.42) TAAR1KCNA5PTGS2
SCHEMBL4461909 0.86 TAAR1 (0.39) TAAR1GRM2PTGS2ALDH1A1LRRK2
SCHEMBL4464155 0.86 TAAR1 (0.40) TAAR1GRM2KCNA5PTGS2SLC6A4
SCHEMBL4460448 0.86 CYP3A4 (0.44) TAAR1PTGS2ALDH1A1LRRK2
SCHEMBL4458283 0.86 KCNA5 (0.44) TAAR1GRM2KCNA5PTGS2LRRK2
SCHEMBL4462469 0.84 OXTR (0.41) TAAR1PTGS2GAANAMPTLRRK2
SCHEMBL4462676 0.84 PTGS2 (0.41) TAAR1GRM2PTGS2LRRK2

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 6 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

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 560/4885GRM2 1678/4885KCNA5 11/4885

“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.