SCHEMBL4520563

SCHEMBL4520563

OC(c1cccnc1-c1ccc(Cl)cc1)C(c1cccnc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.53
KCND3 Q9UK17 1/20 0.53
GAA P10253 1/20 0.46
POLB P06746 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SLC2A1 P11166 1/20 0.40
P2RX7 Q99572 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL12194957 1.00 KCNA5 (0.53) KCNA5KCND3GAAPOLBKDM4E
SCHEMBL12195879 0.91 KCNA5 (0.66) KCNA5KCND3GAAPOLBKDM4E
SCHEMBL2493621 0.91 KCNA5 (0.66) KCNA5KCND3GAAPOLBKDM4E
SCHEMBL2493623 0.91 KCNA5 (0.66) KCNA5KCND3GAAPOLBKDM4E
SCHEMBL12194963 0.90 KCNA5 (0.47) KCNA5KCND3KDM4EALDH1A1HSD17B10
SCHEMBL12052135 0.90 KDM4E (0.46) KCNA5KCND3KDM4EALDH1A1P2RX7
SCHEMBL12194953 0.89 KCNA5 (0.67) KCNA5KCND3GAAPOLBKDM4E
SCHEMBL12052134 0.86 KCNA5 (0.48) KCNA5KCND3POLBKDM4EALDH1A1
SCHEMBL12052092 0.86 KCNA5 (0.58) KCNA5KCND3GAAPOLBKDM4E
SCHEMBL12052146 0.86 KCNA5 (0.52) KCNA5KCND3GAAPOLBKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080543-B2 Pyridine derivative potassium channel inhibitors MERCK SHARP & DOHME (US) 2011-12-20 US disclosed
US-8080543-B2 Pyridine derivative potassium channel inhibitors MERCK SHARP & DOHME (US) 2011-12-20 US disclosed
US-8080543-B2 Pyridine derivative potassium channel inhibitors MERCK SHARP & DOHME (US) 2011-12-20 US disclosed
EP-1994029-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
US-20090069283-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069283-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069283-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
WO-2007089678-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-20090069283-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 KCNA5 14/4885KCND3 38/4885GAA 4571/4885

“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.