SCHEMBL30660331

SCHEMBL30660331

COc1ccc([N+](=O)[O-])c(C#CCCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 15/20 0.44
▸ GSTP1 P09211 1/20 0.36
▸ GSTM2 P28161 1/20 0.36
▸ GSR P00390 1/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ P2RY6 Q15077 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL26930929 0.86 TXNRD1 (0.48) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL26943662 0.83 BCHE (0.37) RAB9A
SCHEMBL30660271 0.83 BCHE (0.37) RAB9A
SCHEMBL30660423 0.81 TXNRD1 (0.47) TXNRD1GSTP1GSTM2GSRS1PR4
SCHEMBL3408429 0.80 TXNRD1 (0.47) TXNRD1GSRMAPTBRD4
SCHEMBL30660370 0.79 TXNRD1 (0.46) TXNRD1GSRBRD4
SCHEMBL3410303 0.78 STK17B (0.49) TXNRD1BRD4
SCHEMBL936924 0.74 PTPN11 (0.49) ADRA2ADRD5DRD3P2RY6MAPT
SCHEMBL14800431 0.74 GAA (0.38) ADRA2ADRD5DRD3P2RY6GFER
SCHEMBL3410380 0.72 TXNRD1 (0.41) TXNRD1GSTP1GSTM2GSRS1PR4

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-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
CN-119325476-A Nitrogen-containing condensed 2, 3-dihydroquinazolinone compounds as NAV1.8 inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2025-01-17 — — CN 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

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 4082/4885GSTP1 3381/4885GSTM2 3845/4885

“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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