SCHEMBL4466470

SCHEMBL4466470

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCND3 Q9UK17 1/20 0.46
ADRB3 P13945 1/20 0.34
PFKFB3 Q16875 1/20 0.33
CYP19A1 P11511 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR6 P50406 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
APLNR P35414 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
GLO1 Q04760 1/20 0.32
NAMPT P43490 1/20 0.32
HCRTR1 O43613 2/20 0.31

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
SCHEMBL4460609 0.95 KCNA5 (0.46) KCNA5KCNE1KCNQ1KCND3CYP19A1
SCHEMBL4457629 0.89 KCNA5 (0.52) KCNA5KCNE1KCNQ1KCND3SLC6A3
SCHEMBL4458225 0.86 KCNA5 (0.49) KCNA5KCNE1KCNQ1KCND3SLC6A3
SCHEMBL4464191 0.85 KMT2A (0.39) KCNA5PFKFB3NAMPTHCRTR1HCRTR2
SCHEMBL4466427 0.84 KCNA5 (0.51) KCNA5KCNE1KCNQ1KCND3SLC6A3
SCHEMBL4458245 0.82 CYP19A1 (0.35) KCNA5PFKFB3CYP19A1HTR6HTT
SCHEMBL4470602 0.81 KCNA5 (0.35) KCNA5PFKFB3CYP19A1MEN1KMT2A
SCHEMBL4461880 0.81 KCNA5 (0.35) KCNA5PFKFB3CYP19A1KCNH2MEN1
SCHEMBL4453052 0.80 ALDH1A1 (0.40) CYP19A1NAMPTHCRTR1HCRTR2ALDH1A1
SCHEMBL3814681 0.80 KCNA5 (0.71) KCNA5KCNE1KCNQ1KCND3ADRB3

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.