SCHEMBL4472831

SCHEMBL4472831

CS(=O)(=O)c1cccc(N(c2cccc(N)n2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
KDM4C Q9H3R0 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
LRRK2 Q5S007 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
ROCK1 Q13464 1/20 0.34
KCNA5 P22460 3/20 0.34
GRM2 Q14416 3/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
KCND3 Q9UK17 1/20 0.34
KCNH2 Q12809 1/20 0.34
VNN1 O95497 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL4464257 0.94 TAAR1 (0.35) TAAR1KDM4CHRH4LOXL2ROCK1
SCHEMBL4453054 0.87 TAAR1 (0.38) TAAR1KDM4CLRRK2KCNA5GRM2
SCHEMBL4460584 0.84 TAAR1 (0.44) TAAR1KDM4CLRRK2KCNA5GRM2
SCHEMBL4457222 0.83 TAAR1 (0.43) TAAR1LRRK2KCNA5GRM2NAMPT
SCHEMBL4459076 0.82 KCNA5 (0.38) KCNA5KCNH2
SCHEMBL4458217 0.82 NAMPT (0.40) TAAR1KCNA5GRM2KCNE1KCNQ1
SCHEMBL14435433 0.81 CFTR (0.42) KCNA5GRM2KCNH2
SCHEMBL4463302 0.81 TAAR1 (0.35) TAAR1KDM4CKCNA5GRM2VNN1
SCHEMBL4472149 0.81 TAAR1 (0.41) TAAR1LRRK2KCNA5GRM2NAMPT
SCHEMBL4460408 0.80 NFE2L2 (0.42) TAAR1KCNA5PDE4B

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
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 560/4885KDM4C 279/4885HRH4 2171/4885

“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.