SCHEMBL885121

SCHEMBL885121

CN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1nnco1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 15/20 0.76
KCNH2 Q12809 6/20 0.39
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CFTR P13569 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GOPC Q9HD26 1/20 0.30

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
SCHEMBL884806 0.87 KCNA5 (1.00) KCNA5KCNH2LMNASMN1; SMN2L3MBTL1
SCHEMBL885022 0.85 KCNA5 (0.79) KCNA5KCNH2LMNASMN1; SMN2L3MBTL1
SCHEMBL884617 0.84 KCNA5 (0.95) KCNA5KCNH2LMNASMN1; SMN2L3MBTL1
SCHEMBL884543 0.82 KCNA5 (0.80) KCNA5KCNH2LMNASMN1; SMN2L3MBTL1
SCHEMBL2063123 0.81 KCNA5 (0.82) KCNA5KCNH2LMNASMN1; SMN2L3MBTL1
SCHEMBL884895 0.81 KCNA5 (0.82) KCNA5KCNH2LMNASLC6A2SLC6A4
SCHEMBL884705 0.80 KCNA5 (0.84) KCNA5KCNH2L3MBTL1SLC6A2SLC6A4
SCHEMBL884812 0.80 KCNA5 (0.84) KCNA5KCNH2LMNASLC6A2SLC6A4
SCHEMBL884468 0.79 KCNA5 (0.79) KCNA5KCNH2
SCHEMBL884774 0.77 KCNA5 (0.76) KCNA5KCNH2SLC6A2SLC6A4

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 3/4885HDAC6 1011/4885

“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.