SCHEMBL2473671

SCHEMBL2473671

OC(c1cccnc1Cl)C(c1cccnc1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 4/20 0.43
P2RX7 Q99572 2/20 0.43
GAA P10253 1/20 0.43
KCNH2 Q12809 2/20 0.42
KCND3 Q9UK17 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FAAH O00519 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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 0.85 KCNA5 (0.53) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL4520563 0.85 KCNA5 (0.53) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL2493623 0.84 KCNA5 (0.66) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL12052129 0.84 KCNA5 (0.66) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL2493621 0.84 KCNA5 (0.66) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL12195879 0.84 KCNA5 (0.66) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL12194953 0.82 KCNA5 (0.67) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL12194951 0.82 KCNA5 (0.67) KCNA5POLBP2RX7KCND3
SCHEMBL12052146 0.81 KCNA5 (0.52) KCNA5ALDH1A1KDM4EHSD17B10POLB
SCHEMBL12195008 0.81 KCNA5 (0.52) KCNA5ALDH1A1KDM4EHSD17B10POLB

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 14/4885ALDH1A1 332/4885KDM4E 276/4885

“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.