SCHEMBL2054425

SCHEMBL2054425

O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.50
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HIF1A Q16665 1/20 0.49
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KIF11 P52732 5/20 0.44
EPAS1 Q99814 2/20 0.42
VEGFA P15692 1/20 0.41
TTR P02766 1/20 0.40

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
SCHEMBL29659699 0.85 TSHR (0.58) GPR35TSHRALDH1A1CYP3A4HPGD
SCHEMBL2054426 0.85 TSHR (0.58) GPR35TSHRALDH1A1CYP3A4HPGD
SCHEMBL10063513 0.81 ALDH1A1 (0.49) GPR35TSHRALDH1A1CYP3A4HPGD
SCHEMBL1018978 0.81 GPR35 (0.49) GPR35TSHRALDH1A1CYP3A4HPGD
SCHEMBL31474764 0.79 GPR35 (0.71) GPR35TSHRALDH1A1CYP3A4HPGD
SCHEMBL11285928 0.79 GPR35 (0.71) GPR35TSHRALDH1A1CYP3A4HPGD
SCHEMBL30469434 0.79 TSHR (0.54) GPR35TSHRALDH1A1CYP3A4HPGD
SCHEMBL11398704 0.77 ALDH1A1 (0.45) TSHRALDH1A1CYP3A4HPGDALOX15
SCHEMBL11082077 0.77 KIF11 (0.52) TSHRALDH1A1CYP3A4HPGDALOX15
SCHEMBL11385032 0.77 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDALOX15

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119264043-A High-quality fluazinam high-efficiency synthesis process 吴忠领航生物药业科技有限公司 2025-01-07 CN disclosed
CN-108929264-A A kind of preparation method of fluazinam 岳晟 2018-12-04 CN disclosed
US-8648203-B2 Process for preparing pyridinamines and novel polymorphs thereof MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2014-02-11 US disclosed
US-8648203-B2 Process for preparing pyridinamines and novel polymorphs thereof MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2014-02-11 US disclosed
US-20120197023-A1 PROCESS FOR PREPARING PYRIDINAMINES AND NOVEL POLYMORPHS THEREOF MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2012-08-02 US disclosed
US-20120197023-A1 PROCESS FOR PREPARING PYRIDINAMINES AND NOVEL POLYMORPHS THEREOF MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2012-08-02 US disclosed
US-8163930-B2 Process for preparing pyridinamines and novel polymorphs thereof MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2012-04-24 US disclosed
US-8163930-B2 Process for preparing pyridinamines and novel polymorphs thereof MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2012-04-24 US disclosed
US-20090075823-A1 PROCESS FOR PREPARING PYRIDINAMINES AND NOVEL POLYMORPHS THEREOF MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2009-03-19 US disclosed
US-20090075823-A1 PROCESS FOR PREPARING PYRIDINAMINES AND NOVEL POLYMORPHS THEREOF MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2009-03-19 US disclosed
WO-2007060662-A2 PROCESS FOR PREPARING PYRIDINAMINES AND NOVEL POLYMORPHS THEREOF MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2007-05-31 WO disclosed
EP-0256504-B1 PROCESS FOR THE EXTRACTION OF NITRO-HYDROXY-AROMATES FROM AQUEOUS SOLUTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-27 EP disclosed
US-4814518-A SOLVENT EXTRACTION, AMINE SALTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-21 US disclosed
EP-0256504-A1 Process for the extraction of nitro-hydroxy-aromates from aqueous solutions HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-24 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 (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-20120197023-A1 PROCESS FOR PREPARING PYRIDINAMINES AND NOVEL POLYMORPHS THEREOF PDXK, FN3KRP, PTMS GPR35 3730/4885TSHR 1868/4885ALDH1A1 2742/4885
US-20090075823-A1 PROCESS FOR PREPARING PYRIDINAMINES AND NOVEL POLYMORPHS THEREOF PDXK, IPMK, DMPK GPR35 3157/4885TSHR 1785/4885ALDH1A1 2439/4885

“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.