SCHEMBL4460609

SCHEMBL4460609

COc1ccc(N(c2cccc(NS(C)(=O)=O)n2)C(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCND3 Q9UK17 1/20 0.46
HTR6 P50406 1/20 0.35
CYP19A1 P11511 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
GLO1 Q04760 1/20 0.33
SLC6A3 Q01959 1/20 0.33
APLNR P35414 2/20 0.33
OXTR P30559 2/20 0.33
NAMPT P43490 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4466470 0.95 KCNA5 (0.46) KCNA5KCNE1KCNQ1KCND3HTR6
SCHEMBL4457629 0.88 KCNA5 (0.52) KCNA5KCNE1KCNQ1KCND3ADRB2
SCHEMBL4458245 0.87 CYP19A1 (0.35) KCNA5HTR6CYP19A1HCRTR1HCRTR2
SCHEMBL4458225 0.85 KCNA5 (0.49) KCNA5KCNE1KCNQ1KCND3ADRB2
SCHEMBL4466427 0.84 KCNA5 (0.51) KCNA5KCNE1KCNQ1KCND3ADRB2
SCHEMBL4453052 0.84 ALDH1A1 (0.40) CYP19A1HCRTR1HCRTR2OXTRNAMPT
SCHEMBL4457249 0.84 KCNA5 (0.61) KCNA5KCNE1KCNQ1KCND3ADRB2
SCHEMBL4462113 0.83 ALDH1A1 (0.40) CYP19A1HCRTR1HCRTR2OXTRNAMPT
SCHEMBL14435380 0.83 ROCK2 (0.36) KCNA5CYP19A1HCRTR1HCRTR2HTT
SCHEMBL4462686 0.83 CYP19A1 (0.40) KCNA5HTR6CYP19A1HCRTR1HCRTR2

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 5 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
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 KCNA5 11/4885KCNE1 23/4885KCNQ1 12/4885

“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.