SCHEMBL32670296

SCHEMBL32670296

O=C1C(=O)c2c(cccc2[N+](=O)[O-])-c2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 4/20 0.79
PTPRC P08575 4/20 0.79
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 2/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
STAT6 P42226 1/20 0.59
HIF1A Q16665 1/20 0.59
PHLPP2 Q6ZVD8 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPT P10636 3/20 0.57
POLB P06746 2/20 0.57
APEX1 P27695 1/20 0.57
CASP6 P55212 1/20 0.57
RECQL P46063 2/20 0.56
KMT2A Q03164 2/20 0.56

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
SCHEMBL6364877 1.00 S100A4 (0.79) S100A4PTPRCALDH1A1MAPK1TP53
SCHEMBL161290 0.96 S100A4 (0.73) S100A4PTPRCALDH1A1MAPK1TP53
SCHEMBL9257330 0.90 S100A4 (0.77) S100A4PTPRCALDH1A1MAPK1TP53
SCHEMBL156735 0.89 S100A4 (0.79) S100A4PTPRCALDH1A1MAPK1TP53
Anthraquinone SCHEMBL27736010 0.89 S100A4 (0.79) S100A4PTPRCALDH1A1MAPK1TP53
SCHEMBL2599396 0.89 PTPRC (1.00) S100A4PTPRCALDH1A1MAPK1TP53
Anthraquinone SCHEMBL27518707 0.89 S100A4 (0.79) S100A4PTPRCALDH1A1MAPK1TP53
Water SCHEMBL11135902 0.87 S100A4 (0.77) S100A4PTPRCALDH1A1MAPK1TP53
Ammonia Solution, Strong SCHEMBL27539963 0.87 S100A4 (0.77) S100A4PTPRCALDH1A1MAPK1TP53
SCHEMBL27694074 0.87 S100A4 (0.77) S100A4PTPRCALDH1A1MAPK1TP53

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
EP-4700863-A2 REDOX ACTIVE ORGANIC MOLECULES FOR AQUEOUS ZINC-ION CELLS AND BATTERIES Salient Energy Inc. (CA) 2026-02-25 EP disclosed
US-20260038834-A1 REDOX ACTIVE ORGANIC MOLECULES FOR AQUEOUS ZINC-ION CELLS AND BATTERIES SALIENT ENERGY INC (CA) 2026-02-05 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 (1 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-20260038834-A1 REDOX ACTIVE ORGANIC MOLECULES FOR AQUEOUS ZINC-ION CELLS AND BATTERIES SOD3, SOD1, NQO1 S100A4 530/4885PTPRC 1211/4885ALDH1A1 1019/4885

“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.