Sugi Predict

Sugi Predict / Compounds / SCHEMBL456694

SCHEMBL456694

SCHEMBL456694

O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(Nc3ccc(Nc4ccccc4)c(S(=O)(=O)O)c3)c([N+](=O)[O-])c2)ccc1Nc1ccc(Nc2ccccc2)c(S(=O)(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.62
▸ MAPT P10636 4/20 0.62
▸ POLB P06746 2/20 0.62
▸ WNK1 Q9H4A3 1/20 0.58
▸ HCAR3 P49019 1/20 0.53
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ GAA P10253 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ NSD2 O96028 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ APOBEC3A P31941 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ NT5E P21589 1/20 0.52
▸ ALDH3A1 P30838 8/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ ABCC9 O60706 1/20 0.47

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
SCHEMBL112129 1.00 TDP1 (0.62) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL141081 0.89 NT5E (0.60) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL16147671 0.88 NT5E (0.61) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL108329 0.88 NT5E (0.61) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL29465202 0.88 MAPT (0.62) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL27752519 0.87 MAPT (0.52) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL13588699 0.87 TDP1 (0.54) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL141078 0.87 NT5E (0.60) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL141080 0.87 NT5E (0.60) TDP1MAPTPOLBWNK1HCAR3
SCHEMBL9817053 0.85 MAPT (0.74) TDP1MAPTPOLBWNK1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 — — EP claimed
US-10259946-B1 Sealing agents, methods of making and uses thereof James Hardie Technology Limited (IE) 2019-04-16 — — US disclosed
US-9173829-B2 Compositions for dyeing keratin fibers HENKEL AG & CO. KGAA (DE) 2015-11-03 — — US disclosed
US-9161898-B2 Compositions for colouring keratin fibres HENKEL AG & CO. KGAA (DE) 2015-10-20 — — US disclosed
US-20140298592-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS HENKEL AG & CO. KGAA (DE) 2014-10-09 — — US disclosed
US-20140290690-A1 COMPOSITIONS FOR COLOURING KERATIN FIBRES HENKEL AG & CO. KGAA (DE) 2014-10-02 — — US disclosed
US-8632612-B2 Compositions for dyeing keratin fibers SEGETIS, INC. (US) 2014-01-21 — — US disclosed
EP-2613760-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS Segetis, Inc. (US) 2013-07-17 — — EP disclosed
US-20130156716-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2013-06-20 — — US disclosed
EP-2103299-B1 Oxidizing hair colourant compositions PROCTER & GAMBLE (US) 2013-02-27 — — EP disclosed
US-20020189031-A1 Use of salts for improving the absorption qualities of anionic direct dyes WELLA AKTIENGESELLSCHAFT (DE) 2002-12-19 — — US disclosed
US-6485529-B1 Agent and method for coloring fibers WELLA AKTIENGESELLSCHAFT (DE) 2002-11-26 — — US disclosed
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-21 — — US disclosed
US-6461390-B1 Process for making 2-aminomethyl-1, 4-diaminobenzene and its salts and compositions and methods for dyeing keratin fibers using same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 — — US disclosed
US-6379400-B1 DYEING FIBERS, SOLVENT OF WATER OR ALCOHOL AND NITROANILINE DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-04-30 — — US disclosed
US-6361571-B1 USING TAUTOMERIC NONOXIDATIVE DYES AND POLYMETHINE DYES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-26 — — US disclosed
US-20020000012-A1 Compositions and methods for dyeing keratin fibers, especially hair WELLA AKTIENGESELLSCHAFT (DE) 2002-01-03 — — US disclosed
US-6231622-B1 MIXTURES; BLUE COLOR WELLA AKTIENGESELLSCHAFT (DE) 2001-05-15 — — US disclosed
US-6171347-B1 REMOVAL OF HAIR COLOR TO BE WORN FOR ONLY A SHORT PERIOD OF TIME UNDER MILD, GENTLE CONDITIONS BY USING A COMBINATION OF A SUITABLE REDUCTONE, SUCH AS ASCORBIC ACID, AND/OR A THIOL AND/OR A SULFITE WELLA AKTIENGESELLSCHAFT (DE) 2001-01-09 — — US disclosed
US-6106579-A MIXTURE OF OXOCARBOXYLIC ACID AND REDUCING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2000-08-22 — — 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 (5 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-20140290690-A1 COMPOSITIONS FOR COLOURING KERATIN FIBRES KRT18, DSG1, PKN1 TDP1 2441/4885MAPT 546/4885POLB 1027/4885
US-20140298592-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS KRT18, PKN3, IK TDP1 2754/4885MAPT 2581/4885POLB 1393/4885
US-20020000012-A1 Compositions and methods for dyeing keratin fibers, especially hair KRT18, DSG1, KRTCAP2 TDP1 3372/4885MAPT 305/4885POLB 1277/4885
US-20130156716-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS KRT18, KRTCAP2, JUP TDP1 3020/4885MAPT 253/4885POLB 2609/4885
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same ALK, DDC, CBR1 TDP1 505/4885MAPT 4236/4885POLB 2118/4885

“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.