SCHEMBL3354677

SCHEMBL3354677

COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5c(n4)NC(=O)CS5)[C@@H](O)C3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.65
KCNQ1 P51787 1/20 0.60
CACNA1C Q13936 1/20 0.60

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
SCHEMBL3354671 1.00 KCNH2 (0.65) KCNH2KCNQ1CACNA1C
SCHEMBL3353442 0.93 KCNH2 (0.76) KCNH2KCNQ1CACNA1C
SCHEMBL3353453 0.93 KCNH2 (0.76) KCNH2KCNQ1CACNA1C
SCHEMBL708264 0.89 KCNH2 (0.74) KCNH2KCNQ1CACNA1C
SCHEMBL12046865 0.88 KCNH2 (0.53) KCNH2KCNQ1CACNA1C
SCHEMBL3353562 0.87 KCNH2 (0.85) KCNH2KCNQ1CACNA1C
SCHEMBL3354071 0.87 KCNH2 (0.85) KCNH2KCNQ1CACNA1C
SCHEMBL3353566 0.87 KCNH2 (0.85) KCNH2KCNQ1CACNA1C
SCHEMBL1525573 0.87 KCNH2 (0.85) KCNH2KCNQ1CACNA1C
SCHEMBL3354074 0.87 KCNH2 (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 KCNH2 466/4885KCNQ1 155/4885CACNA1C 2931/4885

“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.