SCHEMBL129286

SCHEMBL129286

CC(O)Nc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.52
ALDH1A1 P00352 3/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KCNMA1 Q12791 1/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.42
BACE1 P56817 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6001852 0.93 MAPT (0.51) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL28558294 0.86 HCAR3 (0.51) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL1888218 0.84 HCAR3 (0.54) HCAR3ALDH1A1CRHBPCRHR2MAPT
SCHEMBL4626839 0.84 TSHR (0.53) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL6156984 0.84 CRHBP (0.65) HCAR3ALDH1A1CRHBPCRHR2MAPT
SCHEMBL10894653 0.83 HCAR3 (0.56) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL688641 0.83 HCAR3 (0.52) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL9760045 0.83 HCAR3 (0.49) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL211067 0.83 ALDH1A1 (0.51) HCAR3ALDH1A1CRHBPCRHR2MAPT
SCHEMBL17846944 0.83 L3MBTL1 (0.54) HCAR3ALDH1A1CRHBPCRHR2KCNMA1

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 1372 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240350386-A1 Hair Coloring Compositions Comprising Hydroxyalkyl Amines As Alkalising Agents WELLA GERMANY GMBH (DE) 2024-10-24 US claimed
US-12036299-B2 Compositions containing direct dyes for imparting color and tone to the hair L'OREAL (FR) 2024-07-16 US claimed
EP-4362902-A1 COMPOSITIONS CONTAINING DIRECT DYES FOR IMPARTING COLOR AND TONE TO THE HAIR L'OREAL (FR) 2024-05-08 EP claimed
CN-115980205-A Quantitative and/or qualitative method for simultaneously measuring 54 hair dyes in hair dyeing product 江苏省食品药品监督检验研究院 2023-04-18 CN claimed
WO-2023017035-A1 HAIR COLORING COMPOSITIONS COMPRISING HYDROXYALKYL AMINES AS ALKALISING AGENTS WELLA GERMANY GMBH (DE) 2023-02-16 WO claimed
US-20230025989-A1 COMPOSITIONS CONTAINING DIRECT DYES FOR IMPARTING COLOR AND TONE TO THE HAIR L'OREAL (FR) 2023-01-26 US claimed
WO-2023278726-A1 COMPOSITIONS CONTAINING DIRECT DYES FOR IMPARTING COLOR AND TONE TO THE HAIR L'OREAL (FR) 2023-01-05 WO claimed
CN-114246807-A Acidic hair dye composition 朋友株式会社 2022-03-29 CN claimed
CN-112955112-A Two-component system for artificial hair coloring 汉高股份有限及两合公司 2021-06-11 CN claimed
US-9993413-B2 Keratin fibre dyeing composition BEAUTY & BUSINESS S.P.A. (IT) 2018-06-12 US claimed
EP-1928397-A1 METHOD FOR ENHANCING EFFECTS OF COLORANTS AND CONDITIONERS E.I.Du pont de nemours and company (US) 2008-06-11 EP claimed
US-20070251028-A1 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent L'OREAL S.A. (FR) 2007-11-01 US claimed
EP-1844816-A2 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent L'Oréal (FR) 2007-10-17 EP claimed
WO-2007038733-A1 METHOD FOR ENHANCING EFFECTS OF COLORANTS AND CONDITIONERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-04-05 WO claimed
US-20070067924-A1 Method for enhancing effects of colorants and conditioners E. I. DU PONT DE NEMOURS AND COMPANY 2007-03-29 US claimed
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL S.A. (FR) 2007-03-01 US claimed
EP-1757326-A1 Direct dying composition comprising insoluble oxygenated compounds and processes L'Oréal (FR) 2007-02-28 EP claimed
EP-1430876-A1 Composition containing a direct dyestuff and a specific polymer for colouring of keratinic fibres, method for the preparation thereof and process of dyeing with such a composition L'OREAL (FR) 2004-06-23 EP claimed
US-4311478-A HAIR DYES L'OREAL (FR) 1982-01-19 US claimed
US-4149848-A N-/TETRAHYDROFURFURYL/P-PHENYLENEDIAMINES L'OREAL (FR) 1979-04-17 US claimed

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-20230025989-A1 COMPOSITIONS CONTAINING DIRECT DYES FOR IMPARTING COLOR AND TONE TO THE HAIR PHOSPHO1, TYR, AADAT HCAR3 1205/4885ALDH1A1 1243/4885CRHBP 4121/4885
US-20070251028-A1 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent KRT18, DSG1, IK HCAR3 2420/4885ALDH1A1 18/4885CRHBP 2768/4885
US-20240350386-A1 Hair Coloring Compositions Comprising Hydroxyalkyl Amines As Alkalising Agents TYR, OGG1, UNG HCAR3 585/4885ALDH1A1 6/4885CRHBP 4646/4885
US-12036299-B2 Compositions containing direct dyes for imparting color and tone to the hair PHOSPHO1, TYR, AADAT HCAR3 1205/4885ALDH1A1 1243/4885CRHBP 4121/4885
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition KRT18, DSG1, PLOD2 HCAR3 3237/4885ALDH1A1 188/4885CRHBP 3977/4885

“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.