SCHEMBL4517432

SCHEMBL4517432

COc1cnc2cccc(NC(=O)C3CCC(NCc4ccc5c(n4)NC(=O)CO5)CN3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.52
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
SCHEMBL4515712 0.90 KCNH2 (0.54) KCNH2
SCHEMBL4512787 0.90 KCNH2 (0.54) KCNH2
SCHEMBL4509808 0.86 KCNH2 (0.41) KCNH2
SCHEMBL4499945 0.82 KCNH2 (0.64) KCNH2
SCHEMBL4775783 0.81 KCNH2 (0.44) KCNH2
SCHEMBL14341214 0.80 KCNH2 (0.67) KCNH2KCNQ1CACNA1C
SCHEMBL4510282 0.80 KCNH2 (0.64) KCNH2KCNQ1CACNA1C
SCHEMBL4501354 0.80 KCNH2 (0.43) KCNH2
SCHEMBL3376441 0.78 KCNH2 (0.55) KCNH2KCNQ1CACNA1C
SCHEMBL3376444 0.78 KCNH2 (0.55) 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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity ASTRAZENECA AB (SE) 2009-05-21 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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity AAAS, AMPD2, AMPD3 KCNH2 1951/4885KCNQ1 279/4885CACNA1C 4366/4885

“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.