SCHEMBL990966

SCHEMBL990966

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KCNH2 Q12809 3/20 0.41
HTT P42858 1/20 0.39
HTR2A P28223 1/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PYCR1 P32322 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL9685806 0.84 MAOA (0.46) ALDH1A1MAOBMAPT
SCHEMBL9684974 0.84 MAOA (0.46) ALDH1A1MAOBMAPT
SCHEMBL15618793 0.82 ALDH1A1 (0.55) ALDH1A1HTTHTR2ARAB9AMAOB
SCHEMBL991790 0.79 ALDH1A1 (0.52) ALDH1A1HTTHTR2ARAB9AMAOB
SCHEMBL14415498 0.79 ALDH1A1 (0.52) ALDH1A1HTTHTR2ARAB9AMAOB
SCHEMBL991365 0.79 KCNH2 (0.50) KCNH2HTR2AMAOBMAPT
SCHEMBL23199292 0.78 ALDH1A1 (0.47) ALDH1A1KCNH2HTTHTR2ARAB9A
SCHEMBL15618795 0.78 ALDH1A1 (0.51) ALDH1A1HTTHTR2ARAB9AMAOB
SCHEMBL13684200 0.76 ALDH1A1 (0.54) ALDH1A1HTTHTR2ARAB9AMAOB
SCHEMBL991664 0.75 KCNH2 (0.49) KCNH2HTR2AMAOB

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
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

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 ALDH1A1 3289/4885KCNH2 979/4885HTT 3423/4885

“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.