SCHEMBL992050

SCHEMBL992050

CNC(=O)COCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
ALDH1A1 P00352 7/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
PTGS2 P35354 1/20 0.50
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
LMNA P02545 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL7778609 0.87 ALDH1A1 (0.66) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL831162 0.84 PTGS2 (0.65) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL12526290 0.84 MAPT (0.63) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL990973 0.82 MAPT (0.57) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL7154441 0.81 MAPT (0.56) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL18530432 0.81 MAPT (0.56) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL20234288 0.81 L3MBTL1 (0.51) MAPTKMT2AMEN1
SCHEMBL8456712 0.80 ALDH1A1 (0.62) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL13264901 0.80 ALDH1A1 (0.62) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL20234291 0.80 L3MBTL1 (0.50) MAPTKMT2AMEN1

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 MAPT 4691/4885ALDH1A1 3289/4885POLB 1853/4885

“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.