Nitrobenzene

Nitrobenzene

SCHEMBL897630

O=[N+]([O-])c1ccccc1.[AlH2]Cl

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.84
LMNA P02545 2/20 0.84
TSHR P16473 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 1/20 0.56
CRHBP P24387 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
CRHR2 Q13324 1/20 0.56
TLR9 Q9NR96 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
TDP1 Q9NUW8 2/20 0.52
NFE2L2 Q16236 1/20 0.50
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48

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 SCHEMBL28038784 0.95 ALDH1A1 (0.94) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL11762834 0.95 ALDH1A1 (0.94) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL9129483 0.92 ALDH1A1 (0.89) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL1330825 0.92
Nitrobenzene SCHEMBL2255264 0.92 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL15525745 0.92 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL9669095 0.92
Nitrobenzene SCHEMBL1330714 0.92
Nitrobenzene SCHEMBL20411 0.92
Nitrobenzene SCHEMBL2358164 0.92 ALDH1A1 (1.00) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105062091-A Ferrocene-based chiral poly Schiff base salt/graphene composite wave-absorbing material UNIV NANCHANG HANGKONG 2015-11-18 CN claimed
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
CN-110461850-B Fourth generation EGFR tyrosine kinase inhibitors 国立大学法人长崎大学 2022-10-18 CN disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
US-20160340308-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-24 US disclosed
US-9440922-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-13 US disclosed
US-9126931-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-09-08 US disclosed
CN-102459172-B Tetracyclic compound CHUGAI PHARMACEUTICAL CO LTD 2015-06-24 CN disclosed
US-20150150845-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
CN-102459172-A Tetracyclic compounds CHUGAI PHARMACEUTICAL CO LTD 2012-05-16 CN disclosed
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 US disclosed
CN-1953976-A Pyrimidine derivatives for use as vanilloid receptor ligands and their use in the treatment of pain AMGEN INC (US) 2007-04-25 CN disclosed
EP-0017455-B1 LINEAR CRYSTALLINE ALPHA-ALKYLPOLYBENZYLS AND PROCESS FOR PREPARING THEM EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-04-13 EP disclosed
US-4259475-A FRIEDEL-CRAFTS COMPLEX CATALYST EXXON RESEARCH & ENGINEERING CO. (US) 1981-03-31 US disclosed
EP-0017455-A1 Linear crystalline alpha-alkylpolybenzyls and process for preparing them EXXON RESEARCH AND ENGINEERING COMPANY (US) 1980-10-15 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 (5 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885LMNA 2777/4885TSHR 1860/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885LMNA 2777/4885TSHR 1860/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885LMNA 2777/4885TSHR 1860/4885
US-20160340308-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885LMNA 2777/4885TSHR 1860/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 ALDH1A1 1165/4885LMNA 2777/4885TSHR 1860/4885

“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.