Nitrogen

Nitrogen

SCHEMBL222779

N#N.Nc1cc(S(=O)(=O)O)ccc1S(=O)(=O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 3/20 0.60
CASP6 P55212 3/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NT5E P21589 3/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CA2 P00918 4/20 0.45
NSD2 O96028 2/20 0.43
PLCG1 P19174 1/20 0.43
DNMT1 P26358 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL29702840 0.96 ALDH1A1 (0.64) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL149375 0.96 ALDH1A1 (0.64) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL342537 0.96 ALDH1A1 (0.64) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL15194427 0.94 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL342535 0.94 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL15194640 0.94 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL28780394 0.94 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
Benzene SCHEMBL11045134 0.92 ALDH1A1 (0.60) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL11116200 0.89 ALDH1A1 (0.56) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL10924335 0.89 ALDH1A1 (0.56) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108102419-B Orange reactive dye suitable for digital ink-jet printing and preparation method thereof 天津德凯化工股份有限公司 2022-04-05 CN claimed
CN-112500719-B Black dye composition and preparation method thereof 上海贝通色彩科技有限公司 2022-04-15 CN disclosed
CN-108102419-B Orange reactive dye suitable for digital ink-jet printing and preparation method thereof 天津德凯化工股份有限公司 2022-04-05 CN disclosed
CN-112500719-A Black dye composition and preparation method thereof 上海贝通色彩科技有限公司 2021-03-16 CN disclosed
CN-110655806-A Preparation method of reactive brilliant orange dye 浙江劲光实业股份有限公司 2020-01-07 CN disclosed
CN-102834468-B Rinsable dyes and process for their preparation SPECTRA COLORS CORP 2015-03-25 CN disclosed
US-8802829-B2 Rinsable dyes and methods for their preparation Spectra Colors Corp. (US) 2014-08-12 US disclosed
US-8772545-B2 Rinsable dyes and methods for their preparation Spectra Colors Corp. (US) 2014-07-08 US disclosed
US-8664371-B2 Rinsable dyes and methods for their preparation Spectra Colors Corp. (US) 2014-03-04 US disclosed
US-8653247-B2 Rinsable dyes and methods for their preparation Spectra Colors Corp. (US) 2014-02-18 US disclosed
CN-102834468-A Rinsable dyes and process for their preparation SPECTRA COLORS CORP 2012-12-19 CN disclosed
US-20120289739-A1 Rinsable Dyes and Methods for their Preparation Spectra Colors Corp. 2012-11-15 US disclosed
US-20120226030-A1 Rinsable Dyes and Methods for their Preparation Spectra Colors Corp. 2012-09-06 US disclosed
CN-102433026-A Black reactive dye for dyeing pure cotton or cotton-wool blended fabric and preparation method thereof TIANJIN DEKAI CHEM IND CO LTD 2012-05-02 CN disclosed
US-20120101264-A1 Rinsable dyes and methods for their preparation Spectra Colors Corp. 2012-04-26 US disclosed
CN-102391676-A Black reactive dye for pure cotton and cotton wool mixed tiles, and preparation method for black active dye TIANJIN DEKAI CHEM IND CO LTD 2012-03-28 CN disclosed
US-20120004400-A1 Rinsable dyes and methods for their preparation Spectra Colors Corp. 2012-01-05 US disclosed
WO-2012002927-A1 RINSABLE DYES AND METHODS FOR THEIR PREPARATION Spectra Colors Corp. (US) 2012-01-05 WO 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-20120289739-A1 Rinsable Dyes and Methods for their Preparation ARSA, HNRNPUL1, ALKBH1 ALDH1A1 196/4885HSD17B10 3288/4885CASP6 929/4885
US-20120226030-A1 Rinsable Dyes and Methods for their Preparation ARSA, HNRNPUL1, ALKBH1 ALDH1A1 196/4885HSD17B10 3288/4885CASP6 929/4885
US-20120101264-A1 Rinsable dyes and methods for their preparation ARSA, HNRNPUL1, ALKBH1 ALDH1A1 196/4885HSD17B10 3288/4885CASP6 929/4885

“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.