SCHEMBL3732045

SCHEMBL3732045

CC(N)Oc1ccc(N)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
MAPT P10636 6/20 0.47
GAA P10253 5/20 0.47
KDM4E B2RXH2 5/20 0.47
CASP1 P29466 3/20 0.47
HTT P42858 3/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 3/20 0.39
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR4A1 P22736 1/20 0.34

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
SCHEMBL3875281 0.85 POLB (0.49) ALDH1A1MAPTGAAKDM4ECASP1
SCHEMBL1979095 0.83 ALDH1A1 (0.43) ALDH1A1MAPTGAAKDM4ECASP1
SCHEMBL129715 0.82 ALDH1A1 (0.46) ALDH1A1MAPTGAAKDM4ECASP1
SCHEMBL9503183 0.82 ALDH1A1 (0.46) ALDH1A1MAPTGAAKDM4ECASP1
Hydrochloric Acid SCHEMBL29836005 0.80 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4ECASP1
Hydrochloric Acid SCHEMBL10397659 0.80 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4ECASP1
Hydrochloric Acid SCHEMBL1426463 0.80 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4ECASP1
Hydrochloric Acid SCHEMBL33975 0.80 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4ECASP1
Hydrochloric Acid SCHEMBL3248993 0.80 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4ECASP1
SCHEMBL3962000 0.79 ALDH1A1 (0.43) ALDH1A1MAPTGAAKDM4ECASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3096735-A1 GRADUAL HAIRCOLOR COMPOSITIONS AND METHODS OF USING THE SAME Combe International Ltd. (US) 2016-11-30 EP claimed
EP-1674075-B1 Hair colouring process comprising a cleaning step ORÉAL L (FR) 2016-07-20 EP claimed
WO-2015112789-A1 GRADUAL HAIRCOLOR COMPOSITIONS AND METHODS OF USING THE SAME COMBE INTERNATIONAL LTD. (US) 2015-07-30 WO 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
EP-1674075-A1 Colored hair treating process with a composition comprising a specific non ionic surfactant and use to protect the coloration L'OREAL (FR) 2006-06-28 EP claimed
EP-1674074-A1 Colored hair treating process with a composition comprising a specific non ionic and/or an amphoteric and/or a mild anionic surfactant and use to protect the coloration L'OREAL (FR) 2006-06-28 EP claimed
US-7066968-B2 Efficient two-step method of coloring and lightening hair with less damage UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2006-06-27 US claimed
US-7041142-B2 Two step hair coloring compositions delivering deeper, long-lasting color UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2006-05-09 US claimed
US-20060075580-A1 TWO STEP HAIR COLORING COMPOSITIONS DELIVERING DEEPER, LONG-LASTING COLOR UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-04-13 US claimed
US-20050193501-A1 Efficient two-step method of coloring and lightening hair with less damage UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2005-09-08 US claimed
EP-0465339-A1 Keratinous fibres dyeing process with derivatives of 4-hydroxyindol at acidic pH and compositions L'OREAL (FR) 1992-01-08 EP claimed
EP-0465340-A1 Keratinous fibres dyeing process with 4-hydroxyindol at acidic pH and compositions L'OREAL (FR) 1992-01-08 EP claimed
EP-0459901-A1 Process for dyeing of keratinic fibres using 2,6-dimethyl-1,4-diaminobenzene and/or 2,6-diethyl-1,4-diaminobenzene in acid medium and compositions using this process L'OREAL (FR) 1991-12-04 EP claimed
EP-0459900-A1 Process for dyeing of keratinic fibres with 2,4-diamino-1,3-dimethoxybenzene in an acid medium and composition using this process L'OREAL (FR) 1991-12-04 EP claimed
EP-0446132-A1 Keratinous fibres dyeing process with 6 or 7-monohydroxyindols at acidic pH and compositions L'OREAL (FR) 1991-09-11 EP claimed
EP-0424261-A1 Dyeing composition containing oxidation dyes precursors and aminoindole derivatives as coupling agent L'OREAL (FR) 1991-04-24 EP claimed
US-4985042-A New substituted metaaminophenols, a process for their preparation, hair-dyeing compositions containing them and a hair-dyeing process L'OREAL (FR) 1991-01-15 US claimed
US-4954131-A Substituted metaaminophenols, a process for their preparation, hair-dyeing compositions containing them and a hair-dyeing process L'OREAL (FR) 1990-09-04 US claimed
US-4863480-A OXIDATION COLOR DYES THE FRENCH JOINT STOCK COMPANY "L'OREAL" (FR) 1989-09-05 US claimed
US-4692166-A OXIDATION COLOR DYES USED WITH DIAMINOBENZENES OR AMINO PHENOLS; MINIMIZATION OF RED HUE L'OREAL (FR) 1987-09-08 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 (1 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-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 ALDH1A1 1792/4885MAPT 687/4885GAA 2045/4885

“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.