SCHEMBL885844

SCHEMBL885844

Clc1ncccc1-c1nc(C(Cc2cccnc2N2CCCCC2)c2cccnc2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.42
KCNH2 Q12809 4/20 0.38
SCN2A Q99250 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
ALOX5AP P20292 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL885962 0.92 KCNA5 (0.50) KCNA5KCNH2ALDH1A1MAPTTSHR
SCHEMBL2062500 0.89 KCNA5 (0.39) KCNA5KCNH2ALDH1A1MAPTTSHR
SCHEMBL885665 0.87 KCNA5 (0.42) KCNA5KCNH2ALDH1A1MAPTTSHR
SCHEMBL885978 0.87 KCNA5 (0.42) KCNA5KCNH2SCN2ASCN10AALDH1A1
SCHEMBL884813 0.86 KCNA5 (0.43) KCNA5KCNH2SCN2ASCN10AALDH1A1
SCHEMBL885896 0.86 S1PR1 (0.41) KCNA5KCNH2ALDH1A1MAPTTSHR
SCHEMBL2063115 0.86 KCNA5 (0.38) KCNA5KCNH2
SCHEMBL885622 0.85 KCNA5 (0.36) KCNA5KCNH2ALOX5AP
SCHEMBL886532 0.85 KCNA5 (0.36) KCNA5KCNH2ALDH1A1MAPTTSHR
SCHEMBL2062372 0.85 KCNA5 (0.38) KCNA5KCNH2ALDH1A1ALOX5AP

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-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

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 3/4885SCN2A 67/4885

“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.