SCHEMBL990973

SCHEMBL990973

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
KCNH2 Q12809 1/20 0.54
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
GAA P10253 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PLA2G4B P0C869 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 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
SCHEMBL18530432 0.98 MAPT (0.56) MAPTKCNH2ALDH1A1KDM4ETDP1
SCHEMBL7154441 0.98 MAPT (0.56) MAPTKCNH2ALDH1A1KDM4ETDP1
SCHEMBL31410112 0.86 MAPT (0.56) MAPTKCNH2ALDH1A1KDM4ETDP1
SCHEMBL656493 0.85 ALDH1A1 (0.60) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL8456712 0.85 ALDH1A1 (0.62) MAPTKCNH2ALDH1A1KDM4EDRD2
SCHEMBL13264901 0.85 ALDH1A1 (0.62) MAPTKCNH2ALDH1A1KDM4EDRD2
SCHEMBL2116281 0.85 ALOX15 (0.54) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL831162 0.84 PTGS2 (0.65) MAPTKCNH2ALDH1A1GAALMNA
SCHEMBL8769925 0.83 ALDH1A1 (0.61) MAPTALDH1A1LMNASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL11838297 0.83 ALDH1A1 (0.58) MAPTALDH1A1LMNASMN1; SMN2MEN1

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 4691/4885KCNH2 979/4885ALDH1A1 3289/4885

“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.