SCHEMBL4030499

SCHEMBL4030499

NC(C(=O)O)C(N)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.54
GRM4 Q14833 1/20 0.54
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GPR35 Q9HC97 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CES2 O00748 1/20 0.44
HIF1A Q16665 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL3497625 0.88 TDP1 (0.49) GRM8GRM4TDP1CYP1A2ALDH1A1
SCHEMBL20211524 0.85 GRM8 (0.52) GRM8GRM4TDP1CYP1A2ALDH1A1
SCHEMBL29478417 0.84 GRM8 (0.56) GRM8GRM4TDP1CYP1A2ALDH1A1
SCHEMBL5898971 0.83 GRM8 (0.46) GRM8GRM4TDP1CYP1A2ALDH1A1
SCHEMBL9398085 0.82 TDP1 (0.56) GRM8GRM4TDP1CYP1A2ALDH1A1
SCHEMBL2026857 0.81 ALDH1A1 (0.53) GRM8GRM4TDP1CYP1A2ALDH1A1
SCHEMBL2026853 0.81 ALDH1A1 (0.53) GRM8GRM4TDP1CYP1A2ALDH1A1
SCHEMBL7213380 0.80 GRM8 (0.42) GRM8GRM4TDP1CYP1A2ALDH1A1
SCHEMBL10662852 0.79 GRM8 (0.52) GRM8GRM4TDP1CYP1A2ALDH1A1
SCHEMBL2130850 0.78 ALDH1A1 (0.50) GRM8GRM4TDP1CYP1A2ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114878550-B Multifunctional health monitoring contact lens and preparation and detection methods thereof 温州医科大学 2026-05-12 CN disclosed
CN-114878550-A Multifunctional health monitoring contact lens and preparation and detection method thereof 温州医科大学 2022-08-09 CN disclosed
US-20150293106-A1 DIAROMATIC AMINO ACID SUBSTRATE FOR CATHEPSIN DETECTION INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2015-10-15 US disclosed
EP-1450777-B1 PHARMACEUTICAL COMPOSITION CONTAINING CHALCONE OR ITS DERIVATIVES FOR MATRIX METALLOPROTEINASE INHIBITORY ACTIVITY ANGIOLAB INC (KR) 2013-05-08 EP disclosed
US-7572831-B2 Composition containing chalcone ANGIOLAB, INC. (KR) 2009-08-11 US disclosed
EP-1504094-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES Pharmacia Corporation (US) 2005-02-09 EP disclosed
WO-2004100986-A2 PHARMACEUTICAL USE OF AN ADAM 10 INHIBITORY SUBSTANCE CELLTECH R & D LIMITED (GB) 2004-11-25 WO disclosed
US-20040209952-A1 Composition containing chalcone ANGIOLAB, INC. (KR) 2004-10-21 US disclosed
EP-1450777-A1 PHARMACEUTICAL COMPOSITION CONTAINING CHALCONE OR ITS DERIVATIVES FOR MATRIX METALLOPROTEINASE INHIBITORY ACTIVITY Angiolab Inc. (KR) 2004-09-01 EP disclosed
US-20040018561-A1 Peptide compounds and their use as protease substrates PHARMACIA CORPORATION 2004-01-29 US disclosed
WO-2003095475-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES PHARMACIA CORPORATION (US) 2003-11-20 WO disclosed
WO-2003037315-A1 PHARMACEUTICAL COMPOSITION CONTAINING CHALCONE OR ITS DERIVATIVES FOR MATRIX METALLOPROTEINASE INHIBITORY ACTIVITY ANGIOLAB INC. (KR) 2003-05-08 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-20150293106-A1 DIAROMATIC AMINO ACID SUBSTRATE FOR CATHEPSIN DETECTION CTSV, CTSZ, CTSH GRM8 4052/4885GRM4 4398/4885TDP1 2260/4885
US-20040018561-A1 Peptide compounds and their use as protease substrates MMP3, MMP25, MMP11 GRM8 4283/4885GRM4 3832/4885TDP1 1806/4885
US-20040209952-A1 Composition containing chalcone MMP25, MMP13, MMP17 GRM8 4197/4885GRM4 4446/4885TDP1 2570/4885

“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.