SCHEMBL1287136

SCHEMBL1287136

O=C1C(Cl)=C(Cl)C(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.71
S100A4 P26447 2/20 0.71
BCHE P06276 1/20 0.68
ACHE P22303 1/20 0.68
CES1 P23141 1/20 0.68
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.56
HIF1A Q16665 1/20 0.56
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 1/20 0.55
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 4/20 0.51
CASP3 P42574 2/20 0.50
CAPN9 O14815 1/20 0.50
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL30583797 1.00 PTPRC (0.71) PTPRCS100A4BCHEACHECES1
SCHEMBL11207794 0.88 PTPRC (0.83) PTPRCS100A4BCHEACHECES1
SCHEMBL2772220 0.88 PTPRC (0.83) PTPRCS100A4BCHEACHECES1
SCHEMBL30375977 0.84 PTPRC (0.84) PTPRCS100A4BCHEACHECES1
SCHEMBL8104719 0.84 PTPRC (0.84) PTPRCS100A4BCHEACHECES1
SCHEMBL10939924 0.84 PTPRC (0.65) PTPRCS100A4BCHEACHECES1
SCHEMBL1237207 0.84 PTPRC (0.91) PTPRCS100A4BCHEACHECES1
SCHEMBL2599382 0.84 PTPRC (1.00) PTPRCS100A4BCHEACHECES1
SCHEMBL30349970 0.84 PTPRC (0.91) PTPRCS100A4BCHEACHECES1
SCHEMBL29559206 0.84 PTPRC (1.00) PTPRCS100A4BCHEACHECES1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110392529-B Plant stress tolerance inducer 株式会社目立康 2021-11-12 CN claimed
US-20200060269-A1 AGENT FOR INDUCING STRESS TOLERANCE IN PLANTS NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2020-02-27 US claimed
US-11891655-B2 Probe for selectively characterizing enzymes involved in xenobiotic metabolism and method of making and using the same BATTELLE MEMORIAL INSTITUTE (US) 2024-02-06 US disclosed
EP-3692014-B1 PROBE FOR SELECTIVELY CHARACTERIZING ENZYMES INVOLVED IN XENOBIOTIC METABOLISM AND METHOD OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2023-11-22 EP disclosed
CN-111433176-B Probes for selectively characterizing enzymes involved in xenobiotic metabolism and methods of making and using the same 巴特尔纪念研究院 2023-08-29 CN disclosed
US-11638425-B2 Agent for inducing stress tolerance in plants NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2023-05-02 US disclosed
US-11638425-B2 Agent for inducing stress tolerance in plants NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2023-05-02 US disclosed
US-20220282317-A1 PROBE FOR SELECTIVELY CHARACTERIZING ENZYMES INVOLVED IN XENOBIOTIC METABOLISM AND METHOD OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2022-09-08 US disclosed
US-11345950-B2 Probe for selectively characterizing enzymes involved in xenobiotic metabolism and method of making and using the same BATTELLE MEMORIAL INSTITUTE (US) 2022-05-31 US disclosed
US-20210395487-A1 COLORING COMPOSITION, FILM, COLOR FILTER, SOLID-STATE IMAGING ELEMENT, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2021-12-23 US disclosed
CN-110392529-B Plant stress tolerance inducer 株式会社目立康 2021-11-12 CN disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed
EP-0107512-B1 1,4-ACYLOXYNAPHTHALENE DERIVATIVES, TOPICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR PREPARATION, AND INTERMEDIATES THEREFOR SYNTEX (U.S.A.) INC. (US) 1986-02-26 EP disclosed
EP-0146145-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-06-26 EP disclosed
US-4466981-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1984-08-21 US disclosed
EP-0107512-A1 1,4-Acyloxynaphthalene derivatives, topical compositions containing them, methods for their preparation, and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-05-02 EP disclosed
US-4442127-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1984-04-10 US disclosed
US-4419368-A 2,2,3,3-TETRAHYDROXY- SYNTEX (U.S.A.) INC. (US) 1983-12-06 US disclosed
US-4229478-A Naphthaquinone anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1980-10-21 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 (5 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-11638425-B2 Agent for inducing stress tolerance in plants KEAP1, STIP1, NFE2L2 PTPRC 4598/4885S100A4 3849/4885BCHE 4217/4885
US-11345950-B2 Probe for selectively characterizing enzymes involved in xenobiotic metabolism and method of making and using the same CYP2E1, CYP1A1, CYP7A1 PTPRC 1621/4885S100A4 1795/4885BCHE 288/4885
US-20200060269-A1 AGENT FOR INDUCING STRESS TOLERANCE IN PLANTS KEAP1, STIP1, NFE2L2 PTPRC 4598/4885S100A4 3849/4885BCHE 4217/4885
US-11891655-B2 Probe for selectively characterizing enzymes involved in xenobiotic metabolism and method of making and using the same CYP2E1, CYP1A1, CYP7A1 PTPRC 1621/4885S100A4 1795/4885BCHE 288/4885
US-20220282317-A1 PROBE FOR SELECTIVELY CHARACTERIZING ENZYMES INVOLVED IN XENOBIOTIC METABOLISM AND METHOD OF MAKING AND USING THE SAME CYP2E1, CYP1A1, CYP7A1 PTPRC 1621/4885S100A4 1795/4885BCHE 288/4885

“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.