SCHEMBL1370034

SCHEMBL1370034

O=C(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 1.00
CES2 O00748 5/20 1.00
TDP1 Q9NUW8 1/20 0.67
POLB P06746 2/20 0.65
MAPK1 P28482 2/20 0.65
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
MITF O75030 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 1/20 0.61
SRD5A2 P31213 1/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.59
BCHE P06276 1/20 0.57
MAOB P27338 1/20 0.57
CYP1B1 Q16678 1/20 0.57

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
Benzil SCHEMBL27888964 0.98 CES1 (0.96) CES1CES2TDP1POLBMAPK1
Cyanide SCHEMBL10981240 0.94 CES1 (0.89) CES1CES2TDP1POLBMAPK1
SCHEMBL4603989 0.91 CES1 (1.00) CES1CES2TDP1POLBMAPK1
SCHEMBL14877375 0.89 CES1 (0.80) CES1CES2TDP1POLBMAPK1
4-Nitrobenzoic Acid SCHEMBL3850860 0.88 TDP1 (0.88) CES1CES2TDP1POLBMAPK1
Benzophenone SCHEMBL28231509 0.88 POLB (0.82) CES1CES2TDP1POLBMAPK1
SCHEMBL229627 0.88 POLB (0.82) CES1CES2TDP1POLBMAPK1
SCHEMBL762542 0.87 CES1 (0.77) CES1CES2TDP1POLBMAPK1
SCHEMBL14877369 0.87 CES1 (0.75) CES1CES2POLBMAPK1ALDH1A1
Methane SCHEMBL29286698 0.86 POLB (0.79) CES1CES2TDP1POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153194-A Monoamine-monophenol type quinoxalinylbenzoxazin and preparation method thereof UNIV HARBIN ENG 2015-12-16 CN claimed
CN-105153144-A Main-chain diamine type quinoxalinyl benzoxazine and preparation method thereof UNIV HARBIN ENG 2015-12-16 CN claimed
CN-102212023-B Thioether-containing polyphenylquinoxaline compound, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2013-12-11 CN claimed
CN-102443170-A Thermosetting polyphenylquinoxaline resin, its preparation method and application CHINESE ACAD INST CHEMISTRY 2012-05-09 CN claimed
CN-102212023-A Thioether-containing polyphenylquinoxaline compound, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2011-10-12 CN claimed
US-7973034-B2 Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2011-07-05 US claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
CN-119613344-A High-efficiency photoinitiator, photosensitive composition and application 武汉尚赛光电科技有限公司 2025-03-14 CN disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
CN-118027346-A Thermoplastic polyurethane elastomer material and preparation method thereof 四川轻化工大学 2024-05-14 CN disclosed
US-11844847-B2 Sulfur-containing polymerizable monomer and use thereof SUN MEDICAL CO., LTD. (JP) 2023-12-19 US disclosed
CN-112513016-B Sulfur-containing polymerizable monomer and use thereof 尚美德齿科材料有限公司 2023-12-19 CN disclosed
US-20230154689-A1 SOLID ELECTROLYTE CAPACITOR AND METHOD FOR MANUFACTURING SAME NIPPON CHEMI-CON CORPORATION (JP) 2023-05-18 US disclosed
EP-0059649-A2 Dental compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-08 EP disclosed
US-4162265-A Aromatic enyne compounds and their synthesis THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1979-07-24 US disclosed
US-4147868-A AEROSPACE POLYMERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1979-04-03 US disclosed
US-4098825-A ACETYLENE-SUBSTITUTED AROMATIC BENZILS AND ACETYLENE-TERMINATED QUINOXALINE COMPOSITIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1978-07-04 US disclosed
US-4009022-A Selective antagonists for triazine herbicides ROHM AND HAAS COMPANY (US) 1977-02-22 US disclosed
US-3956238-A Polyetherquinoxalines GENERAL ELECTRIC COMPANY (US) 1976-05-11 US disclosed
US-3935239-A Process for producing aromatic α-diketones NEILAND OYAR YANOVICH 1976-01-27 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-11844847-B2 Sulfur-containing polymerizable monomer and use thereof MGMT, SETDB1, ASH2L CES1 4243/4885CES2 4247/4885TDP1 2587/4885

“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.