Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Nitrobenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.50 |
| ▸ | 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 |
| ▸ | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL11048796 | 0.97 | ALDH1A1 (0.84) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL28552423 | 0.94 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL11050640 | 0.94 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL11050641 | 0.94 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL11355816 | 0.94 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL11144731 | 0.94 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL1330714 | 0.94 | — | — | |
| Nitrobenzene SCHEMBL2358164 | 0.94 | ALDH1A1 (1.00) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL9669095 | 0.94 | — | — | |
| Nitrobenzene SCHEMBL2255264 | 0.94 | 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-110461850-A | Forth generation EGFR tyrosine kinase inhibitor | UNIV NAGASAKI | 2019-11-15 | — | — | CN | 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 |
| 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 |
| CN-1200105-A | Isomerization of bisphenols | DOW CHEMICAL CO (US) | 1998-11-25 | — | — | CN | disclosed |
| EP-0196872-B1 | MOLDING COMPOSITION CONTAINING FUNCTIONALISED THERMOPLASTIC RUBBER AND METHOD | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1992-01-08 | — | — | EP | disclosed |
| US-4650828-A | HOMOGENEOUS BLEND | ATLANTIC RICHFIELD COMPANY (US) | 1987-03-17 | — | — | US | disclosed |
| EP-0196872-A2 | Molding composition containing functionalised thermoplastic rubber and method | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1986-10-08 | — | — | EP | disclosed |
| US-4614765-A | COPOLYMER OF MONOALKENYL AROMATIC MONOMER AND ALPHA BETA-ETHYLENICALLY UNSATURATED DICARBOXYLIC AN HYDRIDE N-SUBSTITUTED IMDE, BLENDED WITH ELASTOMER | ATLANTIC RICHFIELD COMPANY (US) | 1986-09-30 | — | — | US | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230142119-A1 | TETRACYCLIC COMPOUND | ALK, TTR, ACVR1 | ACHE 843/4885ALDH1A1 1165/4885LMNA 2777/4885 |
| US-20120083488-A1 | TETRACYCLIC COMPOUND | ALK, TTR, ACVR1 | ACHE 843/4885ALDH1A1 1165/4885LMNA 2777/4885 |
| US-20220306578-A1 | TETRACYCLIC COMPOUND | ALK, TTR, ACVR1 | ACHE 843/4885ALDH1A1 1165/4885LMNA 2777/4885 |
| US-20160340308-A1 | TETRACYCLIC COMPOUND | ALK, TTR, ACVR1 | ACHE 843/4885ALDH1A1 1165/4885LMNA 2777/4885 |
| US-20150150845-A1 | TETRACYCLIC COMPOUND | ALK, TTR, ACVR1 | ACHE 843/4885ALDH1A1 1165/4885LMNA 2777/4885 |
“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.