SCHEMBL2069936

SCHEMBL2069936

Nc1c(Cl)cc([N+](=O)[O-])cc1Br

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
CYP3A4 P08684 2/20 0.67
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GPR35 Q9HC97 1/20 0.46
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
PDE7A Q13946 4/20 0.43
KMT2A Q03164 1/20 0.42
CTSB P07858 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
CYP19A1 P11511 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESPL1 Q14674 1/20 0.39
NQO2 P16083 1/20 0.39

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
Allisan SCHEMBL229362 0.86 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10GPR35POLB
SCHEMBL219209 0.86 ALDH1A1 (0.80) ALDH1A1CYP3A4CA1CA2CA9
Allisan SCHEMBL9721958 0.84 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10GPR35POLB
SCHEMBL29597525 0.82 ALDH1A1 (0.77) ALDH1A1CYP3A4HSD17B10GPR35POLB
SCHEMBL1501666 0.82 ALDH1A1 (0.77) ALDH1A1CYP3A4HSD17B10GPR35POLB
Allisan SCHEMBL10586241 0.82 ALDH1A1 (0.91) ALDH1A1CYP3A4HSD17B10GPR35POLB
Nitrogen SCHEMBL28796026 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4CA1CA2CA9
SCHEMBL11939748 0.81 ALDH1A1 (0.57) ALDH1A1CYP3A4HSD17B10GPR35HTT
Hydrochloric Acid SCHEMBL31463660 0.81 ALDH1A1 (0.74) ALDH1A1CYP3A4HSD17B10GPR35POLB
SCHEMBL909587 0.80 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10GPR35POLB

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 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219506-A Synthesis method of 2-chloro-4-nitro-6-bromo-aniline 浙江博澳新材料股份有限公司 2024-12-31 CN claimed
CN-118530605-A Azo disperse dye and preparation method and application thereof 蓬莱嘉信染料化工股份有限公司 2024-08-23 CN claimed
CN-114134061-A Method for identifying, culturing, strengthening and/or fixing aniline degradable flora for textile sewage treatment and application thereof 香港纺织及成衣研发中心有限公司 2022-03-04 CN claimed
CN-113583468-A Dispersed brown and preparation method thereof 上海安诺其集团股份有限公司 2021-11-02 CN claimed
CN-111039798-A Environment-friendly preparation method of 2-chloro-4-nitro-6-bromo-aniline 浙江闰土研究院有限公司 2020-04-21 CN claimed
EP-2084232-B1 DISPERSE AZO DYESTUFFS DYSTAR COLOURS DISTRIB GMBH (DE) 2012-08-15 EP claimed
US-7871446-B2 Disperse azo dyestuffs DyStar Colours Deutschland KG (DE) 2011-01-18 US claimed
US-20100009081-A1 3-{[4-(2-Chloro-4-nitrophenylazo)-phenyl]-ethyl-amino}-2-methyl-propionic acid vinyl ester; ink jet printing; dyeing and printing of synthetic textile material and fiber blends; dyeings on polyester with improved washfastness properties obtained if dyestuffs contain a vinyl ester group in coupling DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND (DE) 2010-01-14 US claimed
EP-2084232-A1 DISPERSE AZO DYESTUFFS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-08-05 EP claimed
WO-2008055846-A1 DISPERSE AZO DYESTUFFS DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2008-05-15 WO claimed
CN-1563204-A Azo-type disperse dyes for dyeing in acid-alkaline baths HUAMAO FINE CHEMICAL CO LTD PE (CN) 2005-01-12 CN claimed
CN-121800654-A Preparation method of 2-chloro-4-nitro-6-bromoaniline and diazonium salt thereof 浙江闰土股份有限公司 2026-04-07 CN disclosed
CN-121800654-A Preparation method of 2-chloro-4-nitro-6-bromoaniline and diazonium salt thereof 浙江闰土股份有限公司 2026-04-07 CN disclosed
US-20250206759-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2025-06-26 US disclosed
WO-2025059040-A1 MUTANT KRAS MODULATORS AND USES THEREOF NEWAVE PHARMACEUTICAL INC. (US) 2025-03-20 WO disclosed
US-3974123-A Dyes for thermoplastics BASF AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3966399-A Azo disperse dye mixtures SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-06-29 US disclosed
US-3963431-A POLYESTER CIBA-GEIGY AG (CH) 1976-06-15 US disclosed
US-3962209-A PROCESS FOR PREPARING AZO DYESTUFFS WITH ORTHO-AZO CYANO GROUPS BY CYANO EXCHANGE OF METAL CYANIDES AND HALO DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-08 US disclosed
US-3950321-A POLYESTERS BASF AKTIENGESELLSCHAFT (DT) 1976-04-13 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-20250206759-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND KRAS, NRAS, HRAS ALDH1A1 3098/4885CYP3A4 259/4885CA1 768/4885
US-20100009081-A1 3-{[4-(2-Chloro-4-nitrophenylazo)-phenyl]-ethyl-amino}-2-methyl-propionic acid vinyl ester; ink jet printing; dyeing and printing of synthetic textile material and fiber blends; dyeings on polyester with improved washfastness properties obtained if dyestuffs contain a vinyl ester group in coupling WDR77, PRMT7, CBR3 ALDH1A1 929/4885CYP3A4 128/4885CA1 4268/4885

“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.