SCHEMBL22128495

SCHEMBL22128495

CC(=O)NC(CCCCNC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ GLA P06280 2/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.48
▸ SIRT1 Q96EB6 2/20 0.47
▸ SSTR3 P32745 1/20 0.47
▸ MAPT P10636 5/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 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
SCHEMBL22128494 1.00 PDF (0.52) PDFALDH1A1SMN1; SMN2GLASIRT5
SCHEMBL30458236 0.93 ALDH1A1 (0.58) PDFALDH1A1SMN1; SMN2GLASIRT5
SCHEMBL20303925 0.86 CA1 (0.61) PDFALDH1A1SMN1; SMN2GLASIRT5
SCHEMBL20303929 0.86 CA1 (0.61) PDFALDH1A1SMN1; SMN2GLASIRT5
SCHEMBL20303609 0.85 PDF (0.69) PDFALDH1A1SMN1; SMN2GLASIRT1
SCHEMBL20303610 0.85 PDF (0.69) PDFALDH1A1SMN1; SMN2GLASIRT1
SCHEMBL29378049 0.85 PDF (0.51) PDFALDH1A1SMN1; SMN2GLASIRT5
Hydrochloric Acid SCHEMBL31456028 0.84 PDF (0.68) PDFALDH1A1SMN1; SMN2GLASIRT1
SCHEMBL22148637 0.81 SSTR3 (0.55) PDFALDH1A1SIRT1SSTR3
SCHEMBL29400619 0.81 CA1 (0.51) PDFALDH1A1SMN1; SMN2GLASIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11879019-B2 Dual-enzyme responsive peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-23 — — US disclosed
US-20200199177-A1 Dual-Enzyme Responsive Peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-06-25 — — US 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-11879019-B2 Dual-enzyme responsive peptides DNPEP, PEPD, APEH PDF 321/4885ALDH1A1 680/4885SMN1; SMN2 4488/4885
US-20200199177-A1 Dual-Enzyme Responsive Peptides DNPEP, PEPD, APEH PDF 321/4885ALDH1A1 680/4885SMN1; SMN2 4488/4885

“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.

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