SCHEMBL109327

SCHEMBL109327

CNc1ccc(N(C)CC(O)CO)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HCAR3 P49019 5/20 0.46
HTT P42858 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 1/20 0.43
CDC25B P30305 1/20 0.40
MAPK1 P28482 2/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL17693662 0.88 MAPT (0.49) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL14174530 0.88 MAPT (0.46) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL27737641 0.83 MAPT (0.43) MAPTNPSR1HTTALDH1A1TDP1
SCHEMBL109662 0.82 ALDH1A1 (0.56) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL30723003 0.82 ALDH1A1 (0.56) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL111249 0.77 ALDH1A1 (0.55) MAPTNPSR1HCAR3ALDH1A1TDP1
SCHEMBL6151491 0.76 MAPT (0.47) MAPTNPSR1HCAR3HTTALDH1A1
Hydrochloric Acid SCHEMBL1136861 0.76 ALDH1A1 (0.54) MAPTNPSR1HCAR3ALDH1A1TDP1
SCHEMBL9021305 0.76 MAPT (0.56) MAPTNPSR1HCAR3ALDH1A1TDP1
Ethane SCHEMBL5417384 0.76 HCAR3 (0.55) MAPTNPSR1HCAR3HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 EP claimed
US-5226924-A 1,4-DI(MONO- OR POLY) HYDROXYALKYLAMINO-9,10-ANTHRAQUINONES FOR DYEING HUMAN KERATINOUS FIBRES, COSMETIC COMPOSITION CONTAINING THEM IN COMBINATION WITH AZO AND NITROBENZENE DYES, AND HAIR-DYEING PROCESS USING THEM L'OREAL (FR) 1993-07-13 US claimed
EP-0480829-A1 Hair dyeing composition containing anthraquinones L'OREAL (FR) 1992-04-15 EP claimed
US-4668237-A VIOLET OR BLUE AMINO NITROBENZENE DYE L'OREAL (FR) 1987-05-26 US claimed
US-11298304-B2 Two component hair treatment kit comprising a hair coloring cream and a developer composition comprising a specific tensioactive compound LABORATOIRE BIOSTHÉTIQUE KOSMETIK GMBH & CO. KG (DE) 2022-04-12 US disclosed
US-20210128427-A1 TWO COMPONENT HAIR TREATMENT KIT COMPRISING A HAIR COLORING CREAM AND A DEVELOPER COMPOSITION COMPRISING A SPECIFIC TENSIOACTIVE COMPOUND LABORATOIRE BIOSTHÉTIQUE KOSMETIK GMBH & CO. KG (DE) 2021-05-06 US disclosed
EP-3773435-A1 TWO COMPONENT HAIR TREATMENT KIT COMPRISING A HAIR COLORING CREAM AND A DEVELOPER COMPOSITION COMPRISING A SPECIFIC TENSIOACTIVE COMPOUND Laboratoire Biosthetique Kosmetik GmbH&Co. KG (DE) 2021-02-17 EP disclosed
CN-106794127-B Permanent hair dye based on an emulsion-like vehicle and a combination of tris (hydroxymethyl) aminomethane, at least one amino acid and an oxidation dye HCT-头发化妆品技术股份公司 2020-05-29 CN disclosed
US-10456341-B2 Compositions and methods for simultaneous reshaping and direct coloring of hair ALFA PARF GROUP S.P.A. (IT) 2019-10-29 US disclosed
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 EP disclosed
WO-2019185127-A1 TWO COMPONENT HAIR TREATMENT KIT COMPRISING A HAIR COLORING CREAM AND A DEVELOPER COMPOSITION COMPRISING A SPECIFIC TENSIOACTIVE COMPOUND HCT - HAIR COSMETIC TECHNOLOGY AG (CH) 2019-10-03 WO disclosed
EP-2979683-B1 Permanent hair colorants based on a cream-like carrier and a combination of tris(hydroxymethyl)aminomethane, at least an amino acid and an oxidative dye HCT HAIR COSMETIC TECH AG (CH) 2019-07-24 EP disclosed
US-5672180-A USED IN OXIDATIVE HAIR DYE SYSTEMS CLAIROL INCORPORATED (US) 1997-09-30 US disclosed
EP-0758547-A1 Anthraquinone hair dyes having a quaternary ammonium side chain Bristol-Myers Company (US) 1997-02-19 EP disclosed
EP-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 EP disclosed
US-5256487-A High char yield silazane derived preceramic polymers and cured compositions thereof THE B. F. GOODRICH COMPANY (US) 1993-10-26 US disclosed
US-5226924-A 1,4-DI(MONO- OR POLY) HYDROXYALKYLAMINO-9,10-ANTHRAQUINONES FOR DYEING HUMAN KERATINOUS FIBRES, COSMETIC COMPOSITION CONTAINING THEM IN COMBINATION WITH AZO AND NITROBENZENE DYES, AND HAIR-DYEING PROCESS USING THEM L'OREAL (FR) 1993-07-13 US disclosed
EP-0480829-A1 Hair dyeing composition containing anthraquinones L'OREAL (FR) 1992-04-15 EP disclosed
US-4886517-A GOOD WATER SOLUBILITY L'OREAL (FR) 1989-12-12 US disclosed
US-4668237-A VIOLET OR BLUE AMINO NITROBENZENE DYE L'OREAL (FR) 1987-05-26 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 (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-20210128427-A1 TWO COMPONENT HAIR TREATMENT KIT COMPRISING A HAIR COLORING CREAM AND A DEVELOPER COMPOSITION COMPRISING A SPECIFIC TENSIOACTIVE COMPOUND KRT18, KIT, PRKDC MAPT 1857/4885NPSR1 3304/4885HCAR3 1895/4885
US-11298304-B2 Two component hair treatment kit comprising a hair coloring cream and a developer composition comprising a specific tensioactive compound KRT18, KIT, PRKDC MAPT 1857/4885NPSR1 3304/4885HCAR3 1895/4885
US-10456341-B2 Compositions and methods for simultaneous reshaping and direct coloring of hair GRHPR, DAO, ALPG MAPT 2959/4885NPSR1 3917/4885HCAR3 446/4885

“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.