SCHEMBL6159827

SCHEMBL6159827

N[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
GRM8 O00222 1/20 0.50
GRM4 Q14833 1/20 0.50
MAPT P10636 6/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
KMO O15229 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL29359698 1.00 ALDH1A1 (0.51) ALDH1A1GRM8GRM4MAPTKDM4E
SCHEMBL6671231 1.00 ALDH1A1 (0.51) ALDH1A1GRM8GRM4MAPTKDM4E
SCHEMBL14255280 0.90 ALDH1A1 (0.55) ALDH1A1GRM8GRM4MAPTKDM4E
SCHEMBL29557476 0.89 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHTTTDP1
SCHEMBL21981237 0.86 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHTTTDP1
SCHEMBL295431 0.84 ALDH1A1 (0.57) ALDH1A1GRM8GRM4MAPTKDM4E
SCHEMBL31083493 0.84 ALDH1A1 (0.57) ALDH1A1GRM8GRM4MAPTKDM4E
SCHEMBL6226433 0.84 ALDH1A1 (0.57) ALDH1A1GRM8GRM4MAPTKDM4E
Hydrochloric Acid SCHEMBL1567843 0.83 ALDH1A1 (0.56) ALDH1A1GRM8GRM4MAPTKDM4E
Hydrochloric Acid SCHEMBL29399068 0.83 ALDH1A1 (0.56) ALDH1A1GRM8GRM4MAPTKDM4E

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-20260102461-A1 PROTEIN SCAFFOLDS FOR DISORDERED REGIONS AIKIUM INC (US) 2026-04-16 US disclosed
EP-1504094-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES Pharmacia Corporation (US) 2005-02-09 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

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-20040018561-A1 Peptide compounds and their use as protease substrates MMP3, MMP25, MMP11 ALDH1A1 3443/4885GRM8 4283/4885GRM4 3832/4885
US-20260102461-A1 PROTEIN SCAFFOLDS FOR DISORDERED REGIONS MAX, CRYZ, STAMBP ALDH1A1 4542/4885GRM8 3149/4885GRM4 3713/4885

“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.