SCHEMBL6159831

SCHEMBL6159831

C[C@H](NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
ALDH1A1 P00352 5/20 0.52
MAPT P10636 10/20 0.52
TDP1 Q9NUW8 5/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.49
HCAR3 P49019 2/20 0.47

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
SCHEMBL8962619 0.86 ALDH1A1 (0.69) CRHBPCRHR2ALDH1A1MAPTTDP1
SCHEMBL6132129 0.86 ALDH1A1 (0.69) CRHBPCRHR2ALDH1A1MAPTTDP1
SCHEMBL26496466 0.86 ALDH1A1 (0.69) CRHBPCRHR2ALDH1A1MAPTTDP1
SCHEMBL10505373 0.86 ALDH1A1 (0.69) CRHBPCRHR2ALDH1A1MAPTTDP1
SCHEMBL9348638 0.86 ALDH1A1 (0.69) CRHBPCRHR2ALDH1A1MAPTTDP1
SCHEMBL28465359 0.81 ALDH1A1 (0.54) ALDH1A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL26934198 0.80 ALDH1A1 (0.58) CRHBPCRHR2ALDH1A1MAPTTDP1
SCHEMBL26934190 0.80 ALDH1A1 (0.58) CRHBPCRHR2ALDH1A1MAPTTDP1
SCHEMBL28705330 0.78 KMT2A (0.50) ALDH1A1MAPTTDP1HTTKDM4E
SCHEMBL5137640 0.78 MAPT (0.69) CRHBPCRHR2ALDH1A1MAPTTDP1

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 CRHBP 969/4885CRHR2 3216/4885ALDH1A1 3443/4885
US-20260102461-A1 PROTEIN SCAFFOLDS FOR DISORDERED REGIONS MAX, CRYZ, STAMBP CRHBP 127/4885CRHR2 4016/4885ALDH1A1 4542/4885

“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.