SCHEMBL991664

SCHEMBL991664

CN(CCOc1ccc(N=C=O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.49
PPARD Q03181 2/20 0.46
MAOB P27338 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
HTR2A P28223 1/20 0.43
GAA P10253 1/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 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
SCHEMBL991365 0.95 KCNH2 (0.50) KCNH2PPARDMAOBABCG2HTR2A
SCHEMBL4600334 0.79 CA12 (0.58) KCNH2MAOB
SCHEMBL15618793 0.79 ALDH1A1 (0.55) MAOBHTR2AGAA
SCHEMBL3370576 0.78 MEN1 (0.48) KCNH2MAOBABCG2BCHEACHE
SCHEMBL990992 0.76 MAPT (0.44) KCNH2HTR2A
SCHEMBL14415498 0.75 ALDH1A1 (0.52) MAOBHTR2AGAA
SCHEMBL991790 0.75 ALDH1A1 (0.52) MAOBHTR2AGAA
SCHEMBL990966 0.75 ALDH1A1 (0.43) KCNH2MAOBHTR2A
SCHEMBL15618795 0.74 ALDH1A1 (0.51) MAOBHTR2AGAA
SCHEMBL2476773 0.74 MMP2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011140009-A1 METHODS OF USING SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2011-11-10 WO disclosed
EP-2373694-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BioMarin Pharmaceutical Inc. (US) 2011-10-12 EP disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 WO 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-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 KCNH2 979/4885PPARD 4547/4885MAOB 2367/4885

“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.