SCHEMBL455466

SCHEMBL455466

Nc1ccc(OCOc2ccc(N)cc2N)c(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.62
MAPT P10636 4/20 0.62
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
CASP1 P29466 3/20 0.62
USP2 O75604 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HTT P42858 2/20 0.62
TP53 P04637 1/20 0.62
POLB P06746 1/20 0.62
CASP7 P55210 1/20 0.62
ATM Q13315 1/20 0.62
PRSS1 P07477 8/20 0.41
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CREBBP Q92793 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
Hydrochloric Acid SCHEMBL11225965 0.98 GAA (0.66) GAAMAPTALDH1A1KDM4ECASP1
SCHEMBL5852297 0.92 GAA (0.65) GAAMAPTALDH1A1KDM4ECASP1
SCHEMBL8099817 0.86 GAA (0.74) GAAMAPTALDH1A1KDM4ECASP1
SCHEMBL34160 0.84 GAA (0.71) GAAMAPTALDH1A1KDM4ECASP1
SCHEMBL11218926 0.84 GAA (0.71) GAAMAPTALDH1A1KDM4ECASP1
Hydrochloric Acid SCHEMBL11224670 0.84 ALDH1A1 (0.78) GAAMAPTALDH1A1KDM4ECASP1
Hydrochloric Acid SCHEMBL3421592 0.82 GAA (0.75) GAAMAPTALDH1A1KDM4ECASP1
SCHEMBL11224150 0.82 GAA (0.69) GAAMAPTALDH1A1KDM4ECASP1
Hydrochloric Acid SCHEMBL11233537 0.82 GAA (0.75) GAAMAPTALDH1A1KDM4ECASP1
Hydrochloric Acid SCHEMBL1426505 0.82 GAA (0.75) GAAMAPTALDH1A1KDM4ECASP1

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 1063 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8043385-B2 Composition oxidation colouring of keratinic fibres, containing a cationic cellulose ether, a metasilicate and oxidation dyes, method for oxidation colouring and uses thereof L'OREAL S.A. (FR) 2011-10-25 US claimed
JP-4785024-B2 2011-10-05 JP 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
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-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL S.A. (FR) 2010-10-21 US claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US claimed
EP-2182914-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'Oreal (FR) 2010-05-12 EP claimed
EP-2175830-A2 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'Oreal (FR) 2010-04-21 EP claimed
WO-2009019383-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL (FR) 2009-02-12 WO claimed
EP-0852135-A1 Oxidative dyeing composition for keratin fibres and dyeing method employing it L'OREAL (FR) 1998-07-08 EP claimed
WO-1998023246-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBERS CONTAINING 2-FLUORO 4-AMINOPHENOL, A META-AMINOPHENOL AND/OR A META-PHENYLENEDIAMINE AND DYEING METHOD USING SUCH A COMPOSITION L'OREAL (FR) 1998-06-04 WO claimed
US-5752983-A Composition for oxidation dyeing of keratinous fibres comprising an oxidation base, a coupler, and 4-hydroxyindole as coupler and dyeing process with this composition L'OREAL (FR) 1998-05-19 US claimed
WO-1998019659-A1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-05-14 WO claimed
EP-0819425-A1 Oxidative hair dye composition and the dyeing process using such a composition L'OREAL (FR) 1998-01-21 EP claimed
US-5690696-A HAIR DYES L'OREAL (FR) 1997-11-25 US claimed
EP-0722713-B1 Composition for oxidative dyeing of keratin fibers and process of dyeing using that composition OREAL (FR) 1997-08-06 EP claimed
EP-0665005-B1 Oxidative hair dye composition comprising a paraphenylene diamine and a metaphenylene diamine, and method of use OREAL (FR) 1996-08-28 EP claimed
EP-0722713-A1 Composition for oxidative dyeing of keratin fibers and process of dyeing using that composition L'OREAL (FR) 1996-07-24 EP claimed
EP-0722710-A1 Keratinous fiber oxidation dyeing composition and the dyeing process using this composition L'OREAL (FR) 1996-07-24 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 (2 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 GAA 2045/4885MAPT 687/4885ALDH1A1 1792/4885
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF KRT18, TUBB3, VIM GAA 4088/4885MAPT 522/4885ALDH1A1 1691/4885

“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.