SCHEMBL4428836

SCHEMBL4428836

CCOC(=O)C(CC(=O)O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CES2 O00748 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41

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
SCHEMBL28501455 0.86 ELANE (0.48) ALDH1A1KMT2AMEN1TP53GAA
SCHEMBL28501453 0.86 ELANE (0.48) ALDH1A1KMT2AMEN1TP53GAA
SCHEMBL6695015 0.84 CYP1A2 (0.55) ALDH1A1KMT2AMEN1CYP1A2TSHR
SCHEMBL6404329 0.84 CYP1A2 (0.55) ALDH1A1KMT2AMEN1CYP1A2TSHR
SCHEMBL6404322 0.84 CYP1A2 (0.55) ALDH1A1KMT2AMEN1CYP1A2TSHR
SCHEMBL8883062 0.83 L3MBTL1 (0.46) ALDH1A1KMT2AMEN1TP53L3MBTL1
SCHEMBL8883935 0.83 L3MBTL1 (0.46) ALDH1A1KMT2AMEN1TP53L3MBTL1
SCHEMBL23211250 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1TP53L3MBTL1
SCHEMBL5842388 0.81 MEN1 (0.48) ALDH1A1KMT2AMEN1CYP1A2TSHR
SCHEMBL6703265 0.80 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1TP53L3MBTL1

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
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 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 (3 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK ALDH1A1 3104/4885KMT2A 2789/4885MEN1 1931/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 ALDH1A1 2364/4885KMT2A 1951/4885MEN1 1632/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK ALDH1A1 2366/4885KMT2A 2568/4885MEN1 1916/4885

“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.