SCHEMBL884582

SCHEMBL884582

CS(=O)(=O)Nc1ccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.67
KCNH2 Q12809 4/20 0.67
SLC6A3 Q01959 3/20 0.54
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
MAPK10 P53779 2/20 0.46
CYP17A1 P05093 1/20 0.45
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PTGS2 P35354 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL884852 0.88 KCNA5 (0.78) KCNA5KCNH2CYP17A1ALDH1A1
SCHEMBL884583 0.86 KCNA5 (0.82) KCNA5KCNH2SLC6A3ADRB2ADRB1
SCHEMBL885176 0.85 KCNA5 (0.59) KCNA5KCNH2ADRB2ADRB1NAMPT
SCHEMBL884588 0.84 KCNA5 (0.59) KCNA5KCNH2SLC6A3ADRB2ADRB1
SCHEMBL884938 0.82 KCNA5 (0.67) KCNA5KCNH2ADRB1ALDH1A1ADRB3
SCHEMBL2062779 0.81 KCNA5 (1.00) KCNA5KCNH2SLC6A3
SCHEMBL2063325 0.79 KCNA5 (1.00) KCNA5KCNH2SLC6A3
SCHEMBL885074 0.78 KCNA5 (0.81) KCNA5KCNH2SLC6A3CYP17A1
SCHEMBL884725 0.78 KCNA5 (0.61) KCNA5KCNH2ADRB2ADRB1
SCHEMBL2063707 0.77 KCNA5 (1.00) KCNA5KCNH2SLC6A3

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-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885KCNH2 3/4885SLC6A3 883/4885

“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.