SCHEMBL4432206

SCHEMBL4432206

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6703265 1.00 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL4425700 1.00 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL9375784 0.86 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL9375780 0.86 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL14454666 0.86 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL28489089 0.85 AKR1C4 (0.47) ALDH1A1KMT2AMAPT
SCHEMBL28489087 0.85 AKR1C4 (0.47) ALDH1A1KMT2AMAPT
SCHEMBL5276860 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5276866 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL16238680 0.83 MAPT (0.39) ALDH1A1KMT2ASMN1; SMN2RAB9AMAPT

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 9 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-20040235849-A1 Tetrahydroquinoxalines acting as bradykinin antagonists BAYER HEALTHCARE AG (DE) 2004-11-25 US 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 (4 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-20040235849-A1 Tetrahydroquinoxalines acting as bradykinin antagonists BDKRB2, BDKRB1, LTB4R2 ALDH1A1 4292/4885KMT2A 2628/4885MEN1 1108/4885
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.