SCHEMBL33680

SCHEMBL33680

Cc1ccc2c(c1)nc1cc[nH]n12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.48
NLRP3 Q96P20 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR8 Q9NR97 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37

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
SCHEMBL2272346 0.81 KDM4E (0.41) RAD51LOXL2KDM4EHSD17B10FGFR1
SCHEMBL2270590 0.77 RAD51 (0.39) RAD51LOXL2KDM4ECYP1A2NPC1
SCHEMBL2267039 0.76 MEN1 (0.43) LOXL2KDM4EHSD17B10CYP1A2PIK3CA
SCHEMBL2267410 0.74 HTT (0.48) HSD17B10FGFR1
SCHEMBL828724 0.66 NLRP3 (0.45) NLRP3KDM4EHSD17B10TLR8ACSS2
SCHEMBL24553486 0.66 ALDH1A1 (0.60) NLRP3KDM4EHSD17B10ACSS2NQO2
SCHEMBL1104855 0.64 RAB9A (0.59) KDM4EHSD17B10ACSS2CYP1A2NPC1
SCHEMBL19714785 0.63 HTR3E (0.41) NLRP3KDM4EHSD17B10TLR8ACSS2
SCHEMBL4597356 0.63 NLRP3 (0.42) NLRP3KDM4EHSD17B10TLR8ACSS2
SCHEMBL10980166 0.63 NLRP3 (0.42) NLRP3KDM4EHSD17B10TLR8ACSS2

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 1070 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres L'OREAL (FR) 2023-01-17 US claimed
US-20220183940-A1 DYEING PROCESS USING PEROXYGENATED SALTS AND A SUBSTRATE COMPRISING OXIDATION DYES L'OREAL (FR) 2022-06-16 US claimed
EP-3946217-A1 DYEING PROCESS USING PEROXYGENATED SALTS AND A SUBSTRATE COMPRISING OXIDATION DYES L'OREAL (FR) 2022-02-09 EP claimed
CN-112089633-A Oxidation dyeing method 莱雅公司 2020-12-18 CN claimed
US-20200392088-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2020-12-17 US claimed
WO-2020201157-A1 DYEING PROCESS USING PEROXYGENATED SALTS AND A SUBSTRATE COMPRISING OXIDATION DYES L'OREAL (FR) 2020-10-08 WO claimed
EP-3687978-A1 PARA-PHENYLENEDIAMINE BASES WITH CATIONIC HETEROCYCLES, AND THE USE OF SAME FOR OXIDATION DYEING KERATIN FIBRES L'Oreal (FR) 2020-08-05 EP claimed
EP-3464247-B1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES OREAL (FR) 2020-03-11 EP claimed
EP-3464247-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES L'Oréal (FR) 2019-04-10 EP claimed
WO-2019063696-A1 PARA-PHENYLENEDIAMINE BASES WITH CATIONIC HETEROCYCLES, AND THE USE OF SAME FOR OXIDATION DYEING KERATIN FIBRES L' OREAL (FR) 2019-04-04 WO claimed
EP-1047380-B1 KERATINOUS FIBRE OXIDATION DYEING COMPOSITION CONTAINING A LACCASE AND DYEING METHOD USING SAME OREAL (FR) 2004-05-06 EP claimed
US-6576024-B1 Cosmetic mixture for the oxidation tinting of keratin fibres, containing in a support material suitable for tinting keratin fibres (a) at least one laccase- type enzyme; (b) at least one polymer thickener selected from polymers L'OREAL S.A. (FR) 2003-06-10 US claimed
EP-0891181-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD OREAL (FR) 2003-05-14 EP claimed
US-6537328-B1 Hair dye L'OREAL S.A. (FR) 2003-03-25 US claimed
US-6471730-B1 READY TO USE HAIR DYE CONTAINING OXIDATION COLORING AGENT, CATIONIC POLYMERS AND ENZYME; HYDROGEN PEROXIDE FREE; HOMOGENEOUS, INTENSE; NONDEGRADING OR DECOLOURING OF KERATINOUS FIBERS L'OREAL (FR) 2002-10-29 US claimed
US-20020007523-A1 Compositions for dyeing keratinous fibres, containing pyrazolo-azoles; their use for dyeing, as couplers; method of dyeing L' OREAL S.A. 2002-01-24 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
EP-1047377-B1 DYEING COMPOSITION CONTAINING A LACCASE AND KERATINOUS FIBRE DYEING METHODS USING SAME OREAL (FR) 2001-06-27 EP claimed
EP-1047376-B1 KERATINOUS FIBRE DYEING COMPOSITION CONTAINING A LACCASE AND DYEING METHOD USING SAME OREAL (FR) 2001-05-23 EP claimed
US-6231623-B1 OXIDATIVE DYES L'OREAL S.A. (FR) 2001-05-15 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 (4 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-20200392088-A1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES KRT18, ALK, AOC1 RAD51 2264/4885NLRP3 1692/4885LOXL2 1238/4885
US-20220183940-A1 DYEING PROCESS USING PEROXYGENATED SALTS AND A SUBSTRATE COMPRISING OXIDATION DYES KRT18, PPOX, PRDX5 RAD51 1562/4885NLRP3 3900/4885LOXL2 1265/4885
US-20020007523-A1 Compositions for dyeing keratinous fibres, containing pyrazolo-azoles; their use for dyeing, as couplers; method of dyeing KRT18, ZYX, CBR3 RAD51 1306/4885NLRP3 1068/4885LOXL2 3614/4885
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres KRT18, ALK, AOC1 RAD51 2254/4885NLRP3 1966/4885LOXL2 1372/4885

“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.