SCHEMBL1922592

SCHEMBL1922592

Nc1ccc([N+](=O)[O-])cc1CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
THRB P10828 1/20 0.56
TDP1 Q9NUW8 5/20 0.55
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 3/20 0.53
TSHR P16473 4/20 0.52
ALOX15 P16050 1/20 0.51
HTT P42858 2/20 0.49
POLB P06746 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MCL1 Q07820 1/20 0.44
GPR35 Q9HC97 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL29893629 0.87 GAA (0.59) GAATHRBTDP1ALDH1A1CYP3A4
SCHEMBL1520431 0.87 GAA (0.59) GAATHRBTDP1ALDH1A1CYP3A4
SCHEMBL8373001 0.85 TSHR (0.55) GAATHRBTDP1ALDH1A1CYP3A4
SCHEMBL260788 0.84 CYP1A2 (0.51) GAATHRBTDP1ALDH1A1TSHR
SCHEMBL29367937 0.84 CYP1A2 (0.51) GAATHRBTDP1ALDH1A1TSHR
SCHEMBL460989 0.82 HTT (0.66) GAATHRBTDP1ALDH1A1CYP3A4
SCHEMBL10034862 0.82 TDP1 (0.57) GAATHRBTDP1ALDH1A1CYP3A4
SCHEMBL29449526 0.82 PTPRC (0.52) GAATHRBTDP1ALDH1A1CYP3A4
SCHEMBL679942 0.82 PTPRC (0.52) GAATHRBTDP1ALDH1A1CYP3A4
SCHEMBL31536502 0.81 LOXL2 (0.48) GAATHRBTDP1ALDH1A1CYP3A4

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
US-9309185-B2 Process for preparing primary intermediates for dyeing keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2016-04-12 US claimed
US-9012691-B2 Process for preparing primary intermediates for dyeing keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2015-04-21 US claimed
US-20140121415-A1 Process for Preparing Primary Intermediates for Dyeing Keratin Fibers THE PROCTER & GAMBLE COMPANY (US) 2014-05-01 US claimed
US-20140121414-A1 Process for Preparing Primary Intermediates for Dyeing Keratin Fibers THE PROCTER & GAMBLE COMPANY (US) 2014-05-01 US claimed
CN-113582867-B Continuous synthesis method of 2-acetamido-5-nitrobenzyl ether 山东师范大学实验厂有限公司 2023-04-07 CN disclosed
CN-113582867-A Continuous synthesis method of 2-acetamido-5-nitrobenzyl ether 山东师范大学实验厂 2021-11-02 CN disclosed
US-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer JNC CORPORATION (JP) 2021-04-06 US disclosed
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
EP-2912008-B1 PROCESS FOR PREPARING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE AND SALTS THEREOF NOXELL CORP (US) 2020-08-05 EP disclosed
CN-110551508-A Liquid crystal aligning agent for photo-alignment, liquid crystal alignment film, liquid crystal display element, method for forming liquid crystal alignment film, method for forming liquid crystal display element, and polyamic acid or derivative thereof JNC CORP 2019-12-10 CN disclosed
US-20190127643-A1 LIQUID CRYSTAL ALIGNING AGENT FOR PHOTOALIGNMENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE USING IT, AND DIAMINE AND POLYMER JNC CORPORATION (JP) 2019-05-02 US disclosed
CN-104768916-B Process for preparing 2-methoxymethyl-1, 4-benzenediamine and salts thereof 诺赛尔股份有限公司 2018-11-27 CN disclosed
WO-1999040094-A1 AGENT FOR SEALING METALLIC GROUND COATS, ESPECIALLY GROUND COATS CONSISTING OF ZINC OR ZINC ALLOYS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-12 WO disclosed
EP-0354788-B1 Novel imidazole derivatives NIPPON CHEMIPHAR CO (JP) 1995-09-13 EP disclosed
WO-1995002848-A1 MULTIFUNCTIONAL AZO COMPOUNDS AND POLYMERS DERIVED THEREFROM FOR NONLINEAR OPTICS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed
US-5180836-A Antiulcer agents NIPPON CHEMIPHAR CO., LTD. (JP) 1993-01-19 US disclosed
US-5082943-A Antiulcer NIPPON CHEMIPHAR CO., LTD. (JP) 1992-01-21 US disclosed
EP-0354788-A1 Novel imidazole derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1990-02-14 EP disclosed
US-4268510-A DEMETHANIZATION, METABOLISM, RUMEN IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-19 US disclosed
EP-0010348-A1 Heterocyclic trichloromethyl derivatives, process for their preparation and their use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-30 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 (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-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer DDT, DCLRE1A, DVL1 GAA 4503/4885THRB 4760/4885TDP1 188/4885
US-20140121414-A1 Process for Preparing Primary Intermediates for Dyeing Keratin Fibers KRT18, VIM, F12 GAA 3585/4885THRB 4663/4885TDP1 3382/4885
US-20140121415-A1 Process for Preparing Primary Intermediates for Dyeing Keratin Fibers KRT18, VIM, F12 GAA 3585/4885THRB 4663/4885TDP1 3382/4885

“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.