SCHEMBL217091

SCHEMBL217091

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
XDH P47989 1/20 0.66
VCAM1 P19320 5/20 0.60
HSD17B10 Q99714 1/20 0.43
GPR35 Q9HC97 1/20 0.42
LMNA P02545 1/20 0.42
CYP19A1 P11511 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.38
PDE7A Q13946 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL30539734 1.00 ALDH1A1 (0.67) ALDH1A1XDHVCAM1HSD17B10GPR35
Nitrogen SCHEMBL28337050 0.98 ALDH1A1 (0.65) ALDH1A1XDHVCAM1HSD17B10GPR35
SCHEMBL2964049 0.87 XDH (0.77) ALDH1A1XDHVCAM1GPR35LMNA
SCHEMBL6431969 0.82 ALDH1A1 (0.64) ALDH1A1XDHVCAM1HSD17B10GPR35
Allisan SCHEMBL10586241 0.81 ALDH1A1 (0.91) ALDH1A1XDHVCAM1HSD17B10GPR35
Allisan SCHEMBL229362 0.81 ALDH1A1 (1.00) ALDH1A1HSD17B10GPR35LMNACYP19A1
SCHEMBL4518827 0.81 VCAM1 (0.62) ALDH1A1XDHVCAM1HSD17B10GPR35
SCHEMBL2954149 0.81 XDH (0.68) ALDH1A1XDHVCAM1HSD17B10GPR35
SCHEMBL30270558 0.81 XDH (0.68) ALDH1A1XDHVCAM1HSD17B10GPR35
SCHEMBL11871225 0.80 VCAM1 (0.65) ALDH1A1XDHVCAM1HSD17B10GPR35

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 170 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-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-114773874-B Purple sun-proof alkali-washable disperse dye and preparation method thereof 浙江博澳新材料股份有限公司 2023-08-01 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-114773874-A Purple lightfast alkali-washable disperse dye and preparation method thereof 浙江博澳新材料股份有限公司 2022-07-22 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
CN-111320880-A Disperse blue dye and preparation method thereof 东营安诺其纺织材料有限公司 2020-06-23 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
JP-57083555-A None JP disclosed
JP-55058254-A None JP disclosed
JP-56057849-A None JP 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
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 ALDH1A1 929/4885XDH 4287/4885VCAM1 2849/4885

“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.