SCHEMBL2476259

SCHEMBL2476259

O[C@@H](c1cccnc1-c1cc(Cl)cc(Cl)c1)[C@@H](c1cccnc1)N1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 15/20 0.70
KCND3 Q9UK17 1/20 0.70
KCNH2 Q12809 3/20 0.42
KCNN4 O15554 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX12 P18054 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP3A5 P20815 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2472879 1.00 KCNA5 (0.70) KCNA5KCND3KCNH2KCNN4KDM4E
SCHEMBL2493518 1.00 KCNA5 (0.70) KCNA5KCND3KCNH2KCNN4KDM4E
SCHEMBL2493519 1.00 KCNA5 (0.70) KCNA5KCND3KCNH2KCNN4KDM4E
SCHEMBL12195877 0.99 KCNA5 (0.69) KCNA5KCND3KCNH2KCNN4KDM4E
SCHEMBL12194982 0.98 KCNA5 (0.70) KCNA5KCND3KCNH2KDM4EALDH1A1
SCHEMBL12052093 0.93 KCNA5 (0.61) KCNA5KCND3KCNH2KCNN4KDM4E
SCHEMBL12052091 0.92 KCNA5 (0.60) KCNA5KCND3KCNH2KCNN4KDM4E
SCHEMBL12052105 0.91 KCNA5 (0.61) KCNA5KCND3KCNH2KCNN4KDM4E
SCHEMBL2493621 0.91 KCNA5 (0.66) KCNA5KCND3KCNH2KDM4EALDH1A1
SCHEMBL12195879 0.91 KCNA5 (0.66) KCNA5KCND3KCNH2KDM4EALDH1A1

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 3 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
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

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 38/4885KCNH2 2/4885

“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.