SCHEMBL623229

SCHEMBL623229

N#Cc1cc([N+](=O)[O-])cc(Br)c1N

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.66
ALDH1A1 P00352 7/20 0.61
CYP3A4 P08684 3/20 0.61
VCAM1 P19320 3/20 0.52
LMNA P02545 2/20 0.42
CYP19A1 P11511 1/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
CTSB P07858 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
ADRB2 P07550 1/20 0.37
ESPL1 Q14674 1/20 0.36

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
SCHEMBL30589097 1.00 XDH (0.66) XDHALDH1A1CYP3A4VCAM1LMNA
Nitrogen SCHEMBL28796101 0.98 XDH (0.64) XDHALDH1A1CYP3A4VCAM1LMNA
SCHEMBL2964049 0.87 XDH (0.77) XDHALDH1A1CYP3A4VCAM1LMNA
SCHEMBL2954149 0.84 XDH (0.68) XDHALDH1A1CYP3A4VCAM1LMNA
SCHEMBL30270558 0.84 XDH (0.68) XDHALDH1A1CYP3A4VCAM1LMNA
Nitrogen SCHEMBL28796026 0.81 ALDH1A1 (0.74) XDHALDH1A1CYP3A4VCAM1LMNA
SCHEMBL219209 0.81 ALDH1A1 (0.80) XDHALDH1A1CYP3A4LMNACYP19A1
SCHEMBL2967615 0.79 XDH (0.66) XDHALDH1A1CYP3A4VCAM1LMNA
SCHEMBL11404334 0.79 XDH (1.00) XDHALDH1A1CYP3A4VCAM1LMNA
SCHEMBL217091 0.79 ALDH1A1 (0.67) XDHALDH1A1CYP3A4VCAM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118562311-A Nitroazo-containing acid-electrochromic acid dye and preparation method and application thereof 青岛理工大学 2024-08-30 CN claimed
CN-118562316-A Nitroazo-containing acid-induced color reactive dye and preparation method and application thereof 青岛理工大学 2024-08-30 CN claimed
CN-220514146-U 2-cyano-4-nitro-6-bromoaniline diazo micro-channel reaction device 浙江长华科技股份有限公司 2024-02-23 CN claimed
CN-115976677-B Method for preparing colored meta-aramid fiber by adopting reactive stock solution coloring technology 浙江桐昆新材料研究院有限公司 2023-12-22 CN claimed
CN-114836997-B In-situ coupling color development method of meta-aramid fiber and obtained color development aramid fiber 浙江理工大学 2023-10-31 CN claimed
CN-115976677-A Method for preparing colored meta-aramid by adopting reactive stock solution coloring technology 浙江桐昆新材料研究院有限公司 2023-04-18 CN claimed
CN-114836997-A In-situ coupling color development method of meta-aramid and obtained color development aramid 浙江理工大学 2022-08-02 CN claimed
CN-109535044-B Diazotization method of aromatic primary amine 金华双宏化工有限公司 2021-06-15 CN claimed
CN-106748810-B Treatment method of disperse dye intermediate 浙江闰土研究院有限公司 2021-04-27 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
US-7635662-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2009-12-22 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
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
WO-2024074814-A9 COMPOSITION COMPRISING A FUNCTIONALISED DYE AND A DIALLYLAMINE COMONOMER AND USE THEREOF SUBLINO LIMITED (GB) 2025-05-22 WO 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
US-3931145-A POLYESTER GAF CORPORATION (US) 1976-01-06 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 (1 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-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 XDH 4287/4885ALDH1A1 929/4885CYP3A4 128/4885

“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.