SCHEMBL1376513

SCHEMBL1376513

COc1ccc2nccc(-c3ccc(CCNCc4ccc5c(n4)NC(=O)CO5)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.58
KCNQ1 P51787 1/20 0.47
CACNA1C Q13936 1/20 0.47

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
SCHEMBL2925502 0.85 KCNH2 (0.57) KCNH2
SCHEMBL2923635 0.83 KCNH2 (0.45) KCNH2
SCHEMBL4071573 0.79 KCNH2 (0.63) KCNH2KCNQ1CACNA1C
SCHEMBL4067873 0.77 KCNH2 (0.63) KCNH2KCNQ1CACNA1C
SCHEMBL2919418 0.77 KCNH2 (0.55) KCNH2
SCHEMBL3919654 0.75 CCR8 (0.67) KCNH2KCNQ1CACNA1C
SCHEMBL3919647 0.75 CCR8 (0.67) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3923840 0.75 CCR8 (0.66) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3923830 0.75 CCR8 (0.66) KCNH2KCNQ1CACNA1C
SCHEMBL3279129 0.74 KCNH2 (0.72) KCNH2KCNQ1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4654035-B2 2011-03-16 JP claimed
EP-1560488-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-09-01 EP claimed
US-20070004710-A1 Antibacterial agents SMITHKLINE BEECHAM CORPORATION 2007-01-04 US claimed
EP-1560488-A4 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORP (US) 2006-08-02 EP claimed
EP-1560488-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-10 EP claimed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 WO claimed
EP-1560488-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-09-01 EP disclosed
US-7618959-B2 Antibacterial agents SMITHKLINEBEECHAM CORP (US) 2009-11-17 US disclosed
US-20070004710-A1 Antibacterial agents SMITHKLINE BEECHAM CORPORATION 2007-01-04 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-20070004710-A1 Antibacterial agents NQO2, NRDC, IFNG KCNH2 3365/4885KCNQ1 1816/4885CACNA1C 4360/4885

“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.