SCHEMBL109591

SCHEMBL109591

CN(C)c1ccc(Nc2ccc(N)cc2[N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
NPSR1 Q6W5P4 1/20 0.53
AKR1C3 P42330 4/20 0.50
AKR1C2 P52895 4/20 0.50
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 1/20 0.42
ALDH3A1 P30838 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
HCAR3 P49019 2/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL5694574 0.86 MAPT (0.53) MAPTNPSR1AKR1C3AKR1C2MEN1
SCHEMBL10531801 0.84 MAPT (0.56) MAPTAKR1C3AKR1C2MEN1KMT2A
SCHEMBL6135331 0.83 MAPT (0.50) MAPTNPSR1AKR1C3AKR1C2MEN1
SCHEMBL10531772 0.81 L3MBTL1 (0.52) MAPTAKR1C3AKR1C2MEN1KMT2A
SCHEMBL23567 0.81 AKR1C3 (0.67) MAPTAKR1C3AKR1C2MEN1KMT2A
SCHEMBL29785279 0.81 AKR1C3 (0.67) MAPTAKR1C3AKR1C2MEN1KMT2A
SCHEMBL29377063 0.81 AKR1C3 (0.67) MAPTAKR1C3AKR1C2MEN1KMT2A
SCHEMBL10530352 0.81 AKR1C3 (0.71) MAPTAKR1C3AKR1C2MEN1KMT2A
SCHEMBL27737633 0.77 MAPT (0.45) MAPTNPSR1AKR1C3AKR1C2MEN1
SCHEMBL297769 0.76 MAPT (0.60) MAPTNPSR1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6537328-B1 Hair dye L'OREAL S.A. (FR) 2003-03-25 US claimed
EP-1047379-B1 COMPOSITION FOR THE OXIDATIVE DYEING OF KERATINIC FIBERS COMPRISING A LACCASE AND DEYING PROCESS USING SUCH A COMPOSITION OREAL (FR) 2001-10-10 EP claimed
US-4859206-A Hair dye preparations containing nitrodiphenylamine derivative HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-08-22 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-111936110-A Two-component hair treatment kit comprising a hair dye cream and a developer composition comprising specific surface-active compounds 科斯梅蒂克生物技术实验室有限公司 2020-11-13 CN 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
WO-1999002124-A2 DIRECT HAIR DYE COMPOSITIONS AND METHODS CONTAINING NOVEL ANTHRAQUINONE MIXTURES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-21 WO disclosed
EP-0891971-A1 Bispyrazole-aza compounds, processes for their preparation, and hair dyeing agents containing these compounds Wella Aktiengesellschaft (DE) 1999-01-20 EP disclosed
EP-0889719-A1 AGENTS FOR DYING AND DECOLORIZING FIBERS Wella Aktiengesellschaft (DE) 1999-01-13 EP disclosed
EP-0877593-A1 AGENT FOR DYEING AND DECOLORIZING FIBERS Wella Aktiengesellschaft (DE) 1998-11-18 EP disclosed
EP-0867171-A2 Powder composition for the preparation of gels comprising a methyl hydroxyalkyl cellulose Wella Aktiengesellschaft (DE) 1998-09-30 EP disclosed
WO-1998023247-A1 AGENT FOR DYEING AND DECOLORIZING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-06-04 WO disclosed
WO-1998022078-A1 AGENTS FOR DYING AND DECOLORIZING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-05-28 WO disclosed
EP-0578665-B1 HAIR COLOURANTS WITH DIRECT DYES HENKEL KGAA (DE) 1994-12-21 EP disclosed
US-4859206-A Hair dye preparations containing nitrodiphenylamine derivative HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-08-22 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 (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 3304/4885AKR1C3 37/4885
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 3304/4885AKR1C3 37/4885
US-10456341-B2 Compositions and methods for simultaneous reshaping and direct coloring of hair GRHPR, DAO, ALPG MAPT 2959/4885NPSR1 3917/4885AKR1C3 729/4885

“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.