SCHEMBL3477514

SCHEMBL3477514

CCOC(=O)c1cc([N+](=O)[O-])cn1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.57
NPC1 O15118 1/20 0.50
MAPT P10636 4/20 0.47
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
POLB P06746 1/20 0.45
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
CACNA1F O60840 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 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
SCHEMBL5889676 0.84 NPC1 (0.47) ARNPC1MAPTNOD2NOD1
SCHEMBL1298878 0.84 NPC1 (0.52) ARNPC1MAPTNOD2NOD1
SCHEMBL2388875 0.83 MEN1 (0.44) ARMAPTPOLBSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL9245391 0.82 AR (0.42) ARNPC1MAPTNOD2NOD1
SCHEMBL1842078 0.81 NPC1 (0.47) ARNPC1MAPTNOD2NOD1
SCHEMBL7258024 0.81 NPC1 (0.44) ARNPC1MAPTNOD2NOD1
SCHEMBL20644785 0.81 AR (0.46) ARNPC1MAPTNOD2NOD1
SCHEMBL9323836 0.81 AR (0.56) ARMAPTRAB9AHTT
SCHEMBL26106290 0.81 NPC1 (0.44) ARNPC1MAPTNOD2NOD1
SCHEMBL14099809 0.81 NPC1 (0.44) ARNPC1MAPTNOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113439084-B Sesqui-carcinomycin analogue 奥克兰联合服务有限公司 2025-02-25 CN disclosed
US-20220098215-A1 DUOCARMYCIN ANALOGUES AUCKLAND UNISERVICES LIMITED (NZ) 2022-03-31 US disclosed
EP-3917933-A1 DUOCARMYCIN ANALOGUES Auckland Uniservices Limited (NZ) 2021-12-08 EP disclosed
CN-113439084-A Duocarmycin analogs 奥克兰联合服务有限公司 2021-09-24 CN disclosed
WO-2020157662-A1 DUOCARMYCIN ANALOGUES AUCKLAND UNISERVICES LIMITED (NZ) 2020-08-06 WO disclosed
EP-1910330-B1 HETEROCYCLYLAMIDE-SUBSTITUTED THIAZOLES, PYRROLES AND THIOPHENES AICURIS GMBH & CO KG (DE) 2014-07-23 EP disclosed
US-8410090-B2 Heterocyclylamide-substituted thiazoles, pyrroles and thiophenes AICURIS GMBH & CO. KG (DE) 2013-04-02 US disclosed
US-8410090-B2 Heterocyclylamide-substituted thiazoles, pyrroles and thiophenes AICURIS GMBH & CO. KG (DE) 2013-04-02 US disclosed
US-8410090-B2 Heterocyclylamide-substituted thiazoles, pyrroles and thiophenes AICURIS GMBH & CO. KG (DE) 2013-04-02 US disclosed
US-20100144752-A1 Heterocyclylamide-substituted thiazoles, pyrroles and thiophenes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
US-5534483-A (2-imidazolin-2-yl) fused heteropyridine compounds intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5534485-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5534484-A (2-imidazolin-2-yl)fused heteropyridine compounds intermediates for the preparation of and use of said compounds and herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5532207-A CONTROL OF MONO- AND DI-COTYLEDONOUS ANNUAL, PERENNIAL AND AQUATIC PLANTS; PRE- AND POST-EMERGENCE USE AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed
US-5510319-A PYRROLO-2,3-B-PYRIDINYL DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1996-04-23 US disclosed
US-5252538-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1993-10-12 US disclosed
EP-0227932-B1 NOVEL FUSED PYRIDINE COMPOUNDS, INTERMEDIATES FOR THE PREPARATION OF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1993-01-13 EP disclosed
EP-0227932-A1 Novel fused pyridine compounds, intermediates for the preparation of, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-07-08 EP disclosed
US-4382143-A Hypolipidemic and antiatherosclerotic novel (monosubstituted-amino)heteroaryl carboxylic acids and analogs AMERICAN CYANAMID COMPANY (US) 1983-05-03 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 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 (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-20100144752-A1 Heterocyclylamide-substituted thiazoles, pyrroles and thiophenes TPMT, TYMP, TYMS AR 4786/4885NPC1 2482/4885MAPT 1241/4885
US-20220098215-A1 DUOCARMYCIN ANALOGUES TOP2A, TOP2B, MUS81 AR 4235/4885NPC1 3762/4885MAPT 1921/4885

“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.