SCHEMBL884637

SCHEMBL884637

COc1ncccc1Nc1ncccc1CC(c1cccnc1)c1cccnc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 15/20 0.42
KCNH2 Q12809 6/20 0.39
VDR P11473 1/20 0.38
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 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
SCHEMBL884706 0.90 KCNA5 (0.51) KCNA5KCNH2VDRSLC6A2SLC6A4
SCHEMBL884638 0.82 KCNA5 (0.40) KCNA5KCNH2
SCHEMBL884652 0.81 KCNA5 (0.43) KCNA5KCNH2VDRKDM4EALDH1A1
SCHEMBL884744 0.79 KCNA5 (0.47) KCNA5KCNH2VDRPDE4D
SCHEMBL885763 0.77 KCNA5 (0.45) KCNA5KCNH2
SCHEMBL2062493 0.72 KCNA5 (0.50) KCNA5KCNH2SLC6A2SLC6A4ALDH1A1
SCHEMBL884464 0.71 KCNA5 (0.56) KCNA5KCNH2SLC6A2SLC6A4KDM4E
SCHEMBL2062650 0.71 KCNA5 (0.48) KCNA5KCNH2HTT
SCHEMBL884758 0.71 KCNA5 (0.49) KCNA5KCNH2ALDH1A1
SCHEMBL884543 0.71 KCNA5 (0.80) KCNA5KCNH2LMNAL3MBTL1

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 3/4885VDR 3849/4885

“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.