Nitrobenzene

Nitrobenzene

SCHEMBL313509

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

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.94
LMNA P02545 2/20 0.94
TSHR P16473 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 1/20 0.60
CRHBP P24387 1/20 0.60
KMT2A Q03164 1/20 0.60
ATM Q13315 1/20 0.60
CRHR2 Q13324 1/20 0.60
TLR9 Q9NR96 1/20 0.60
HPGD P15428 1/20 0.60
ALOX12 P18054 1/20 0.60
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
NFE2L2 Q16236 1/20 0.54
ACHE P22303 2/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52

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 SCHEMBL4081852 1.00 ALDH1A1 (0.94) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL4081857 1.00 ALDH1A1 (0.94) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL1330714 0.97
Nitrobenzene SCHEMBL2358164 0.97 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL1330825 0.97
Nitrobenzene SCHEMBL15525745 0.97 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL20411 0.97
Nitrobenzene SCHEMBL9669095 0.97
Nitrobenzene SCHEMBL2255264 0.97 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL25293390 0.94 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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605303-A Synthesis method of delavirdine and intermediate thereof 武汉工程大学 2022-06-10 CN claimed
CN-106622244-B A kind of method nitrogen-doped carbon material package Co catalysts and prepare secondary-amine compound using it 中南民族大学 2019-06-14 CN claimed
CN-108752463-A A kind of preparation method and its usage of 2,4,4 '-tribromo Biphenyl Ether immunogene 上海交通大学 2018-11-06 CN claimed
CN-108610225-A A kind of method that transition metal-catalyzed nitro-aromatic prepares fragrant alkynes with terminal aryl group alkynes cross-coupling 湖南科技大学 2018-10-02 CN claimed
CN-107406385-A Process for producing diamine compound and intermediate thereof 日产化学工业株式会社 2017-11-28 CN claimed
CN-104861138-B A kind of polyurethane containing trianilino group and its preparation method and application 黑龙江大学 2017-10-10 CN claimed
CN-105175716-B A kind of preparation method of the polyamide film containing trianilino group 黑龙江大学 2017-05-31 CN claimed
CN-104844813-B A kind of preparation method of the polyamide film with electrochromic property 黑龙江大学 2017-05-31 CN claimed
CN-106622244-A Nitrogen-doped carbon material encapsulated cobalt catalyst and method of using the catalyst to prepare secondary amine compounds 中南民族大学 2017-05-10 CN claimed
CN-116528845-A Novel aminoaromatic compound or pharmaceutically acceptable salt of the compound, and pharmaceutical composition for preventing or treating neurodegenerative disease comprising the same as active ingredient 基础科学研究院 2023-08-01 CN disclosed
CN-110710533-B Plant growth regulator composition containing flumetralin and prohexadione calcium 江苏龙灯化学有限公司 2021-07-20 CN disclosed
CN-110408233-B P-sulfophenoxy cyanine dye and preparation method and application thereof 北京大学 2020-04-03 CN disclosed
CN-110710531-A Method for increasing cotton yield and/or improving fiber quality 江苏龙灯化学有限公司 2020-01-21 CN disclosed
CN-110710533-A Plant growth regulator composition containing flumetralin and prohexadione calcium 江苏龙灯化学有限公司 2020-01-21 CN disclosed
CN-101274898-A Process for 4- amino-3-fluorophenol UNIV SHANDONG WEIHAI (CN) 2008-10-01 CN disclosed
WO-2006125208-A1 INHIBITORS OF MATRIX METALLOPROTEINASES WAYNE STATE UNIVERSITY (US) 2006-11-23 WO disclosed
US-7101890-B2 Benzazepine derivatives, drugs containing these and use of the same for producing drugs SANOCHEMIA LTD. (MT) 2006-09-05 US disclosed
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs SANOCHEMIA LTD. (MT) 2004-04-08 US disclosed
US-6638925-B2 In particular benzofuro(3a,3,2,ef)(2)benzazepin; treatment of Alzheimer's disease and related dementia conditions, Langdon-Down syndrome SANOCHEMIA LTD. (MT) 2003-10-28 US disclosed
US-20030092700-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS SANOCHEMIA LTD. (MT) 2003-05-15 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 (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-20030092700-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS PSEN2, BACE2, BACE1 ALDH1A1 2241/4885LMNA 270/4885TSHR 4824/4885
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs BACE2, PSEN2, BACE1 ALDH1A1 1803/4885LMNA 386/4885TSHR 4650/4885

“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.