Nitrobenzene

Nitrobenzene

SCHEMBL16698133

C=O.O=[N+]([O-])c1ccccc1

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.89
▸ LMNA P02545 2/20 0.89
▸ TSHR P16473 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CRHBP P24387 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ TLR9 Q9NR96 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ CES2 O00748 1/20 0.56
▸ CES1 P23141 1/20 0.56
▸ NFE2L2 Q16236 1/20 0.52
▸ ACHE P22303 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
Nitrobenzene SCHEMBL27522452 0.94 ALDH1A1 (0.89) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL28543842 0.94 ALDH1A1 (0.89) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL1330825 0.94 — —
Nitrobenzene SCHEMBL15525745 0.94 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL1330714 0.94 — —
Nitrobenzene SCHEMBL20411 0.94 — —
Nitrobenzene SCHEMBL2255264 0.94 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL2358164 0.94 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL9669095 0.94 — —
Nitrobenzene SCHEMBL25293390 0.92 ALDH1A1 (0.94) ALDH1A1LMNATSHRL3MBTL1MEN1

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
WO-2022061666-A1 METHOD FOR PREPARING HOLLOW COVALENT ORGANIC FRAMEWORK MATERIAL 浙江大学 2022-03-31 — — WO claimed
CN-109608406-A A kind of nitro alkyl quinoxaline or derivatives thereof, aminoalkyl quinoxaline or derivatives thereof and its synthetic method 上海交通大学 2019-04-12 — — CN claimed
CN-108191882-A A kind of preparation method of polyol acetal class compound 泰山医学院 2018-06-22 — — CN claimed
CN-107417570-A The method that α hydroxyl nitriles are prepared using acetone cyanohydrin 哈尔滨理工大学 2017-12-01 — — CN claimed
US-20250361223-A1 AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LTD (CN) 2025-11-27 — — US disclosed
US-12435062-B2 Amide compounds and uses thereof HUTCHISON MEDIPHARMA LIMITED (CN) 2025-10-07 — — US disclosed
US-20230174513-A1 AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2023-06-08 — — US disclosed
EP-4126844-A1 AMIDE COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2023-02-08 — — EP disclosed
WO-2021197276-A1 Amide compounds and uses thereof HUTCHISON MEDIPHARMA LIMITED (CN) 2021-10-07 — — WO disclosed
CN-110526865-A A kind of bimolecular fluorescent chemicals and its preparation and application for detecting HOCl UNIV ZHEJIANG TECHNOLOGY 2019-12-03 — — CN disclosed
CN-110041251-A Application of the equal benzene trimellitic imide of 4-aminopyridine functionalization in detection formaldehyde and 3- fluorobenzaldehyde 西北师范大学 2019-07-23 — — CN disclosed
CN-110023277-A Compound, resin, composition and corrosion-resisting pattern forming method and circuit pattern forming method 三菱瓦斯化学株式会社 2019-07-16 — — CN disclosed
CN-101669030-A Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof UNIV LELAND STANFORD JUNIOR 2010-03-10 — — CN disclosed
CN-101565365-A Preparation method of alpha, beta-unsaturated acid CHENGDU MOL BIOPHARMACEUTICAL (CN) 2009-10-28 — — CN disclosed
CN-101492426-A Thiazole schiff base containing nitryl, preparation and uses thereof UNIV HUNAN (CN) 2009-07-29 — — CN disclosed
CN-101149375-A An immunoassay method and kit to leucomalachite green and malachite green RANDOX LAB LTD (GB) 2008-03-26 — — CN disclosed
CN-1040062-C Pharmacologically active compounds, methods for the preparing thereof and compositions containing same ORION YHTYMAE OY (FI) 1998-10-07 — — CN disclosed
CN-1027756-C Synthetic method of alpha, beta-unsaturated acid LABOUR HYGIENE OCCUPATIONAL DI (CN) 1995-03-01 — — CN disclosed
CN-1050869-A α, the synthetic method of beta-unsaturated acid LABOUR HYGIENE OCCUPATIONAL DI (CN) 1991-04-24 — — CN disclosed
CN-87108011-A New compounds with pharmacological activity, preparation method and related components thereof ORION YHTYMAE OY (FI) 1988-06-08 — — CN 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 (3 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-20230174513-A1 AMIDE COMPOUNDS AND USES THEREOF ASNS, ASS1, NAT1 ALDH1A1 610/4885LMNA 3803/4885TSHR 2509/4885
US-12435062-B2 Amide compounds and uses thereof ASNS, ASS1, NAT1 ALDH1A1 610/4885LMNA 3803/4885TSHR 2509/4885
US-20250361223-A1 AMIDE COMPOUNDS AND USES THEREOF ASNS, NAT1, AADAC ALDH1A1 585/4885LMNA 3547/4885TSHR 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.

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