SCHEMBL33559

SCHEMBL33559

CC(=O)NCCONc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.45
MTNR1B P49286 6/20 0.45
TSHR P16473 3/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CNR1 P21554 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
DHFR P00374 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6738493 0.89 MTNR1A (0.40) MTNR1AMTNR1BTSHRUSP2ALOX15
SCHEMBL10354336 0.77 MTNR1A (0.73) MTNR1AMTNR1BTSHRUSP2ALOX15
SCHEMBL10826205 0.76 MTNR1A (0.50) MTNR1AMTNR1BTSHRMAPK1PKM
Sulfuric Acid SCHEMBL11083725 0.74 PKM (0.47) MTNR1AMTNR1BTSHRMAPK1PKM
SCHEMBL27890220 0.73 KDM4E (0.44) MTNR1AMTNR1BTSHRMAPK1HSD17B10
SCHEMBL33691 0.73 MAPT (0.39) TSHRALOX15MAPK1HSD17B10L3MBTL1
SCHEMBL5718659 0.73 NR4A1 (0.36) TSHRMAPK1L3MBTL1CYP2C19ALDH1A1
Sulfuric Acid SCHEMBL27584470 0.71 RAPGEF4 (0.42) TSHRHSD17B10L3MBTL1PKMCYP2C19
SCHEMBL1979097 0.71 CYP3A4 (0.37) TSHRALOX15MAPK1HSD17B10L3MBTL1
SCHEMBL8445226 0.71 MTNR1A (0.45) MTNR1AMTNR1BTSHRPKMCYP2C19

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 1700 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-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-3638200-A1 PROCESS FOR DYEING KERATIN MATERIALS USING AT LEAST ONE BLUE, PURPLE OR GREEN DYE AND AT LEAST ONE DISULFIDE, THIOL OR PROTECTED THIOL FLUORESCENT DYE L'Oreal (FR) 2020-04-22 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-2017202884-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) 2017-11-30 WO claimed
EP-0850636-B2 Composition for the oxidative dyeing of keratinic fibres and dyeing process using this composition OREAL (FR) 2013-11-20 EP claimed
US-8002847-B2 Composition for oxidation dyeing keratin fibres comprising a cationic cellulose ether, a weakly oxyethylenated sorbitan fatty acid ester and oxidation dyes L 'OREAL S.A. (FR) 2011-08-23 US claimed
EP-0850637-B2 Composition for the oxidative dyeing of keratinic fibres and dyeing process using this composition OREAL (FR) 2010-11-10 EP claimed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US claimed
US-6152967-A COMPOSITION FOR HAIR DYEING COMPRISING AT LEAST ONE OXIDATION BASE AND BILIRUBIN OXIDASE L'OREAL (FR) 2000-11-28 US claimed
US-6099590-A READY-TO-USE COMPOSITION COMPRISING OXIDATION BASE(S), CHOLINE OXIDASE(S), AND DONOR(S) FOR THE CHOLINE OXIDASE; MULTICOMPARTMENT DYE KITS; PROCESS FOR DYEING; STRONGER COLORATIONS L'OREAL (FR) 2000-08-08 US claimed
US-6090159-A READY-TO-USE OXIDATION DYEING COMPOSITION COMPRISING AN OXIDATION BASE, SARCOSINE OXIDASE AS OXIDIZER, AND AT LEAST ONE DONOR FOR THE ENZYME; STRONGER COLORATION, NO BLEACHING L'OREAL (FR) 2000-07-18 US claimed
US-6001135-A READY-TO-USE OXIDATION DYEING FOR HUMAN HAIR L'OREAL (FR) 1999-12-14 US claimed
US-5993490-A Composition for the oxidation dyeing of keratin fibers containing a cationic direct dye and dyeing process using this composition L'OREAL (FR) 1999-11-30 US claimed
EP-0850638-B1 Oxidative dye composition for keratinic fibres and dyeing process using this composition OREAL (FR) 1999-09-01 EP claimed
US-5919273-A READY-TO-USE COMPOSITION DYES HAIR GIVING UNIFORM COLOR; OXIDATION BASE IN COMBINATION WITH A SUBSTITUTED META-AMINOPHENOL COUPLER, CATIONIC DIRECT DYE AND OXIDIZING AGENT; MULTICOMPARTMENT DYE KIT L'OREAL (FR) 1999-07-06 US claimed
EP-0850637-B1 Composition for the oxidative dyeing of keratinic fibres and dyeing process using this composition OREAL (FR) 1999-06-02 EP claimed
EP-0850636-B1 Composition for the oxidative dyeing of keratinic fibres and dyeing process using this composition OREAL (FR) 1999-05-06 EP claimed
EP-0852135-B1 Oxidative dyeing composition for keratin fibres and dyeing method employing it OREAL (FR) 1999-04-28 EP 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 MTNR1A 4641/4885MTNR1B 4572/4885TSHR 4714/4885
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES KRT18, KRTCAP2, FASN MTNR1A 4324/4885MTNR1B 4490/4885TSHR 4844/4885
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 MTNR1A 4465/4885MTNR1B 4311/4885TSHR 4564/4885

“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.