SCHEMBL33733

SCHEMBL33733

Cc1nc2cc(C)[nH]n2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 6/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 4/20 0.34
RAD51 Q06609 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2272328 0.74 ALKBH5 (0.38) ALDH1A1TDP1
SCHEMBL2268727 0.72 KDM4E (0.33) KDM4ELMNAALDH1A1
SCHEMBL2269722 0.61 KDM4E (0.48) KDM4ELMNAALDH1A1RECQLHPGD
SCHEMBL2535793 0.60 ADORA1 (0.35) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL19939402 0.56 PIK3CG (0.41) KDM4ELMNAALDH1A1HPGDHTT
SCHEMBL8796880 0.56 KDM4E (0.47) KDM4ELMNAALDH1A1RECQLHPGD
SCHEMBL7920632 0.55 KDM4E (0.42) KDM4ELMNAALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL6285437 0.54 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10648289 0.54 KDM4E (0.40) KDM4ELMNAALDH1A1HPGDMAPK1
SCHEMBL6010016 0.54 PIK3CG (0.47) KDM4ELMNAALDH1A1HPGDGAA

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 1692 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
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
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-3687970-A1 PARA-PHENYLENEDIAMINE BASES WITH AN ALIPHATIC CHAINE AND TRIALKYL AMMONIUM GROUP, 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
WO-2019063611-A1 OXIDATION DYEING PROCESS USING A COUPLER AND A PEROXYGENATED SALT AS OXIDIZING AGENT L'OREAL (FR) 2019-04-04 WO claimed
WO-2019063695-A1 PARA-PHENYLENEDIAMINE BASES WITH AN ALIPHATIC CHAINE AND TRIALKYL AMMONIUM GROUP, AND THE USE OF SAME FOR OXIDATION DYEING KERATIN FIBRES L'OREAL (FR) 2019-04-04 WO 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
WO-2001068043-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2001-09-20 WO 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
EP-1047379-A1 XIDA L'OREAL (FR) 2000-11-02 EP claimed
EP-1047376-A1 KERATINOUS FIBRE DYEING COMPOSITION CONTAINING A LACCASE AND DYEING METHOD USING SAME L'OREAL (FR) 2000-11-02 EP claimed
EP-1047377-A1 DYEING COMPOSITION CONTAINING A LACCASE AND KERATINOUS FIBRE DYEING METHODS USING SAME L'OREAL (FR) 2000-11-02 EP claimed
WO-1999036035-A1 DYEING COMPOSITION CONTAINING A LACCASE AND KERATINOUS FIBRE DYEING METHODS USING SAME L'OREAL (FR) 1999-07-22 WO claimed
WO-1999036037-A1 KERATINOUS FIBRE OXIDATION DYEING COMPOSITIONS CONTAINING A LACCASE AND DYEING METHOD USING SAME L'OREAL (FR) 1999-07-22 WO claimed
WO-1999036034-A1 KERATINOUS FIBRE DYEING COMPOSITION CONTAINING A LACCASE AND DYEING METHOD USING SAME L'OREAL (FR) 1999-07-22 WO 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 (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-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 KDM4E 860/4885LMNA 1150/4885ALDH1A1 77/4885
US-20220183940-A1 DYEING PROCESS USING PEROXYGENATED SALTS AND A SUBSTRATE COMPRISING OXIDATION DYES KRT18, PPOX, PRDX5 KDM4E 1488/4885LMNA 1637/4885ALDH1A1 913/4885
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 KDM4E 864/4885LMNA 1380/4885ALDH1A1 63/4885

“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.