SCHEMBL513385

SCHEMBL513385

CC(NC(=O)c1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
CTSD P07339 1/20 0.58
GLA P06280 1/20 0.55
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.50
HTT P42858 2/20 0.50
ALPL P05186 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NCOA1 Q15788 1/20 0.50

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
Morpholine SCHEMBL5065348 0.87 ALDH1A1 (0.47) ALDH1A1CTSDGLAKDM4EMAPT
SCHEMBL31530473 0.87 ALDH1A1 (0.59) ALDH1A1CTSDGLAKDM4EMAPT
SCHEMBL31530477 0.87 ALDH1A1 (0.59) ALDH1A1CTSDGLAKDM4EMAPT
SCHEMBL7475644 0.86 GLA (0.53) ALDH1A1CTSDGLAKDM4EMAPT
SCHEMBL7475632 0.86 GLA (0.53) ALDH1A1CTSDGLAKDM4EMAPT
SCHEMBL13761295 0.86 ALDH1A1 (0.67) ALDH1A1CTSDGLAKDM4EMAPT
SCHEMBL8026101 0.84 ALDH1A1 (0.65) ALDH1A1CTSDGLAKDM4EMAPT
SCHEMBL4285030 0.84 LMNA (0.64) ALDH1A1CTSDGLAKDM4EMAPT
SCHEMBL4285026 0.84 LMNA (0.64) ALDH1A1CTSDGLAKDM4EMAPT
SCHEMBL15610552 0.83 TDP1 (0.51) ALDH1A1GLAMEN1KMT2ACYP1A2

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
US-20120029015-A1 Novel medical use of kynurenic acid, its precursors and derivatives MARCINIAK ANDRZEJ (PL) 2012-02-02 US disclosed
WO-2010110689-A1 A NOVEL MEDICAL USE OF KYNURENIC ACID, ITS PRECURSORS AND DERIVATIVES MARCINIAK ANDRZEJ (PL) 2010-09-30 WO disclosed
EP-1294377-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALCOHOLISM AND ALCOHOL DEPENDENCE Cardiff and Vale National Health Service Trust (GB) 2003-03-26 EP disclosed
WO-2002002091-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALCOHOLISM AND ALCOHOL DEPENDENCE CARDIFF & VALE NATIONAL HEALTH SERVICE TRUST (GB) 2002-01-10 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-20120029015-A1 Novel medical use of kynurenic acid, its precursors and derivatives FFAR3, FFAR2, HCAR2 ALDH1A1 3183/4885CTSD 1635/4885GLA 1666/4885

“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.