SCHEMBL9524102

SCHEMBL9524102

CCOC(=O)C(C(=O)OCC)c1nc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 17/20 0.51
ALDH1A1 P00352 2/20 0.50
GSR P00390 1/20 0.48
S1PR4 O95977 1/20 0.42
MAPT P10636 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL29392101 0.92 TXNRD1 (0.44) TXNRD1ALDH1A1GSRMAPTMAPK1
SCHEMBL24251666 0.92 TXNRD1 (0.44) TXNRD1ALDH1A1GSRMAPTMAPK1
SCHEMBL30937582 0.91 ALDH1A1 (0.60) TXNRD1ALDH1A1GSRS1PR4MAPT
SCHEMBL14333655 0.88 ALDH1A1 (0.46) TXNRD1ALDH1A1GSRMAPTMAPK1
SCHEMBL20066169 0.87 TXNRD1 (0.49) TXNRD1ALDH1A1GSRS1PR4MAPT
SCHEMBL26110612 0.85 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1RAB9A
SCHEMBL30889027 0.83 ALDH1A1 (0.48) TXNRD1ALDH1A1GSRMAPTMAPK1
SCHEMBL6642983 0.83 ALDH1A1 (0.48) TXNRD1ALDH1A1GSRMAPTMAPK1
SCHEMBL14709951 0.81 TXNRD1 (0.44) TXNRD1ALDH1A1GSRS1PR4MAPT
SCHEMBL29597784 0.79 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368647-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2025-12-04 US disclosed
EP-4536660-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2025-04-16 EP disclosed
WO-2023238065-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-12-14 WO disclosed
CN-109996792-B Heterocyclic compounds having activity as modulators of muscarinic M1 and/or M4 receptors in the treatment of CNS diseases and pain 赫普泰雅治疗有限公司 2023-02-17 CN disclosed
CN-111592541-B Macrocyclic kinase inhibitors and uses thereof 山东轩竹医药科技有限公司 2021-09-10 CN disclosed
CN-111592541-A Macrocyclic kinase inhibitors and uses thereof 山东轩竹医药科技有限公司 2020-08-28 CN disclosed
WO-2018069732-A1 HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. HEPTARES THERAPEUTICS LIMITED (GB) 2018-04-19 WO disclosed
EP-0285000-B1 CHROMOGENE COMPOUNDS, THEIR MANUFACTURE AND USE AS ENZYME SUBSTRATES Roche Diagnostics GmbH (DE) 1993-07-28 EP disclosed
US-5190862-A Peptide modified compound BOEHRINGER MANNHEIM GMBH (DE) 1993-03-02 US disclosed
US-5108890-A Diagnostic agents for determining peptide bond-cleaving enzymes; measuring light absorbed by liberated colored materials BOEHRINGER MANNHEIM GMBH (DE) 1992-04-28 US disclosed
EP-0285000-A2 Chromogene compounds, their manufacture and use as enzyme substrates Roche Diagnostics GmbH (DE) 1988-10-05 EP 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-20250368647-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN5A TXNRD1 4082/4885ALDH1A1 2933/4885GSR 3967/4885

“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.