SCHEMBL991790

SCHEMBL991790

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
HTR2A P28223 1/20 0.47
RAB9A P51151 1/20 0.47
IDO1 P14902 2/20 0.46
MAOB P27338 1/20 0.46
GAA P10253 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
AKR1C3 P42330 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL15618793 0.93 ALDH1A1 (0.55) ALDH1A1HTTHTR2ARAB9AIDO1
SCHEMBL14415498 0.89 ALDH1A1 (0.52) ALDH1A1HTTHTR2ARAB9AIDO1
SCHEMBL15618795 0.88 ALDH1A1 (0.51) ALDH1A1HTTHTR2ARAB9AIDO1
SCHEMBL13684200 0.86 ALDH1A1 (0.54) ALDH1A1HTTHTR2ARAB9AIDO1
SCHEMBL9794961 0.84 ALDH1A1 (0.53) ALDH1A1HTTHTR2ARAB9AIDO1
SCHEMBL991783 0.84 ALDH1A1 (0.47) ALDH1A1TSHRHTTHTR2ARAB9A
SCHEMBL19358158 0.83 ALDH1A1 (0.52) ALDH1A1HTTHTR2ARAB9AIDO1
SCHEMBL23199292 0.83 ALDH1A1 (0.47) ALDH1A1HTTHTR2ARAB9AIDO1
SCHEMBL990977 0.83 ALDH1A1 (0.46) ALDH1A1TSHRHTTHTR2ARAB9A
SCHEMBL13543031 0.81 ALDH1A1 (0.50) ALDH1A1HTTHTR2ARAB9AIDO1

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 8 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
US-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type MEIJI SEIKA KAISHA, LTD. (JP) 2003-01-30 US disclosed
EP-1251134-A1 NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
WO-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 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 (2 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 3289/4885TSHR 3307/4885HTT 3423/4885
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 ALDH1A1 518/4885TSHR 4206/4885HTT 3240/4885

“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.