SCHEMBL1801401

SCHEMBL1801401

Nc1c(-c2ccccc2)n[nH]c1Nc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HSD17B10 Q99714 1/20 0.49
AGPAT2 O15120 1/20 0.45
MAPK10 P53779 2/20 0.44
MAPK14 Q16539 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GFER P55789 1/20 0.44
TP53 P04637 1/20 0.44
TRPA1 O75762 1/20 0.42
MAPK8 P45983 1/20 0.42
LMNA P02545 4/20 0.41
GLA P06280 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL1799381 0.94 GAA (0.45) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1802125 0.89 ALDH1A1 (0.56) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1802347 0.76 DYRK1A (0.48) GAAKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL1803640 0.74 ALDH1A1 (0.58) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6682618 0.72 EGFR (0.49) TP53TRPA1MKNK1MKNK2
SCHEMBL3411336 0.72 ABL1 (0.54) GAAKDM4EALDH1A1HPGDNPC1
SCHEMBL1801663 0.71 KDM4E (0.53) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1802588 0.71 ALDH1A1 (0.53) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14040937 0.70 XDH (0.47) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL19927642 0.69 RPS6KA5 (0.49) GAAKDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011619-B2 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2012-07-04 EP claimed
EP-1345580-B9 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2009-11-25 EP claimed
EP-1345580-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2006-06-07 EP claimed
EP-1011619-B1 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2005-09-14 EP claimed
EP-1345579-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING AN AMINO PYRAZOLE AND A MINERAL COMPOUND OREAL (FR) 2005-06-29 EP claimed
US-20040237219-A1 Composition for oxidation dyeing of keratinous fibres comprising at least a 4,5 or 3,4-diamino pyrazole or a triamino pyrazole and at least a particular cellulose compound, and dyeing method L'OREAL (FR) 2004-12-02 US claimed
US-6780203-B1 DIAMINOPYRAZOLE DERIVATIVE OXIDATION HAIR DYE AND 3-AMINO-2-CHLORO-6- METHYLPHENOL OR SALT COUPLER L'ORéAL S.A. (FR) 2004-08-24 US claimed
US-20040088800-A1 Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound L'OREAL (FR) 2004-05-13 US claimed
US-20040074014-A1 Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound L'OREAL (FR) 2004-04-22 US claimed
EP-1404288-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2004-04-07 EP claimed
WO-2002051373-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND L'OREAL (FR) 2002-07-04 WO claimed
WO-2002051371-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING AN AMINO PYRAZOLE AND A MINERAL COMPOUND L'OREAL (FR) 2002-07-04 WO claimed
US-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2002-05-02 US claimed
WO-2001034104-A1 COLOURING AGENT FOR KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 WO claimed
US-6099592-A SPECIFIED 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES SUCH AS 1-BENZYL-4,5-DIAMINO-3-METHYLPYRAZOLE AS OXIDATION DYE PRECURSORS; USE TO OBTAIN DYE COMPOSITIONS LEADING TO STRONG COLORATIONS, IN SHADES RANGING FROM RED TO BLUE L'OREAL (FR) 2000-08-08 US claimed
EP-1011619-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 2000-06-28 EP claimed
WO-1999011231-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 1999-03-11 WO claimed
EP-0740931-B1 Compositions for dyeing keratinic fibers containing diaminopyrazoles, process for dyeing, diaminopyrazoles and process for their preparation OREAL (FR) 1997-08-20 EP claimed
WO-1996034591-A1 DIAMINOPYRAZOLE-CONTAINING COMPOSITIONS FOR COLOURING KERATIN FIBRES, COLOURING PROCESS, NOVEL DIAMINOPYRAZOLES AND METHOD FOR THEIR PREPARATION L'OREAL (FR) 1996-11-07 WO claimed
EP-0740931-A1 Compositions for dyeing keratinic fibers containing diaminopyrazoles, process for dyeing, diaminopyrazoles and process for their preparation L'OREAL (FR) 1996-11-06 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 (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-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 GAA 3834/4885KDM4E 723/4885ALDH1A1 653/4885
US-20040237219-A1 Composition for oxidation dyeing of keratinous fibres comprising at least a 4,5 or 3,4-diamino pyrazole or a triamino pyrazole and at least a particular cellulose compound, and dyeing method KRT18, TUBB3, PPOX GAA 4474/4885KDM4E 976/4885ALDH1A1 410/4885
US-20040074014-A1 Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound KRT18, TUBB3, COX5A GAA 4669/4885KDM4E 1192/4885ALDH1A1 706/4885
US-20040088800-A1 Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound KRT18, TUBB3, COX5A GAA 4579/4885KDM4E 1186/4885ALDH1A1 281/4885

“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.