SCHEMBL4472842

SCHEMBL4472842

Cc1ccc(N(c2cccc(S(C)(=O)=O)c2)C(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
LRRK2 Q5S007 1/20 0.38
VNN1 O95497 1/20 0.37
PTGS2 P35354 4/20 0.37
PTGS1 P23219 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
BRAF P15056 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MET P08581 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GRM2 Q14416 1/20 0.35
CYP3A4 P08684 1/20 0.35
KCNA5 P22460 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
SCHEMBL4460584 0.92 TAAR1 (0.44) TAAR1LRRK2VNN1PTGS2KDM4C
SCHEMBL4461909 0.89 TAAR1 (0.39) TAAR1LRRK2VNN1PTGS2PTGS1
SCHEMBL4472149 0.88 TAAR1 (0.41) TAAR1LRRK2PTGS2ALDH1A1GRM2
SCHEMBL4457222 0.88 TAAR1 (0.43) TAAR1LRRK2PTGS2ALDH1A1GRM2
SCHEMBL4462469 0.87 OXTR (0.41) TAAR1LRRK2VNN1PTGS2KDM4C
SCHEMBL4462676 0.87 PTGS2 (0.41) TAAR1LRRK2PTGS2PTGS1PDE4A
SCHEMBL4460448 0.86 CYP3A4 (0.44) TAAR1LRRK2PTGS2PTGS1KDM4C
SCHEMBL4458283 0.86 KCNA5 (0.44) TAAR1LRRK2PTGS2KDM4CGRM2
SCHEMBL4460408 0.85 NFE2L2 (0.42) TAAR1PTGS2PTGS1PDE4BCYP3A4
SCHEMBL4472068 0.84 TAAR1 (0.39) TAAR1LRRK2VNN1PTGS2PTGS1

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 TAAR1 560/4885LRRK2 296/4885VNN1 3240/4885

“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.