SCHEMBL108526

SCHEMBL108526

Nc1cc2c(cc1[N+](=O)[O-])NCCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.64
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
MCL1 Q07820 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
TSHR P16473 2/20 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
SCHEMBL27758385 0.88 MAPT (0.50) MAPTMEN1KMT2APOLBMCL1
SCHEMBL19030215 0.82 MAPT (0.41) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL14174533 0.82 ALDH1A1 (0.48) MAPTMEN1KMT2APOLBMCL1
SCHEMBL27732031 0.81 MAPT (0.43) MAPTMEN1KMT2APOLBMCL1
SCHEMBL27732012 0.79 MAPT (0.41) MAPTMEN1KMT2APOLBMCL1
SCHEMBL303812 0.79 MAPT (0.44) MAPTMEN1KMT2APOLBMCL1
SCHEMBL31451466 0.79 ALDH1A1 (0.48) MAPTMEN1KMT2APOLBMCL1
SCHEMBL31000979 0.79 MAPT (1.00) MAPTMEN1KMT2APOLBMCL1
SCHEMBL1624146 0.79 MAPT (1.00) MAPTMEN1KMT2APOLBMCL1
SCHEMBL25387147 0.77 MAPT (0.45) MAPTMEN1KMT2APOLBMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972044-A Composition and method for dyeing keratin fibers WELLA AG (DE) 1999-10-26 US claimed
EP-0867170-A2 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1998-09-30 EP 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
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
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-0592396-B1 BENZOXAZINE DYES BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
EP-0592396-A1 BENZOXAZINE DYES. BRISTOL MYERS SQUIBB CO (US) 1994-04-20 EP disclosed
EP-0592396-A4 BENZOXAZINE DYES. BRISTOL MYERS SQUIBB CO (US) 1992-09-28 EP disclosed
US-5118323-A Hair dyes CLAIROL, INC. 1992-06-02 US disclosed
US-5055110-A Hair dyes CLAIROL INCORPORATED (US) 1991-10-08 US disclosed
WO-1991007394-A1 BENZOXAZINE DYES BRISTOL-MYERS SQUIBB COMPANY (US) 1991-05-30 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-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 1857/4885MEN1 4124/4885KMT2A 1061/4885
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 1857/4885MEN1 4124/4885KMT2A 1061/4885
US-10456341-B2 Compositions and methods for simultaneous reshaping and direct coloring of hair GRHPR, DAO, ALPG MAPT 2959/4885MEN1 1382/4885KMT2A 1630/4885

“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.