SCHEMBL4729328

SCHEMBL4729328

COCCCOc1ccc(N)cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.66
MAPT P10636 3/20 0.66
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HTT P42858 2/20 0.66
USP2 O75604 2/20 0.66
CASP1 P29466 2/20 0.66
MEN1 O00255 1/20 0.66
TP53 P04637 1/20 0.66
POLB P06746 1/20 0.66
CASP7 P55210 1/20 0.66
KMT2A Q03164 1/20 0.66
ATM Q13315 1/20 0.66
PRSS1 P07477 10/20 0.49
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL2477531 0.91 GAA (0.68) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL34160 0.90 GAA (0.71) GAAMAPTKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL6258876 0.89 GAA (0.71) GAAMAPTKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL30994761 0.88 GAA (0.75) GAAMAPTKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL1426505 0.88 GAA (0.75) GAAMAPTKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL3421592 0.88 GAA (0.75) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL11218926 0.86 GAA (0.71) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL5852297 0.85 GAA (0.65) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL11225049 0.84 GAA (0.69) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL11224150 0.84 GAA (0.69) GAAMAPTKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268436-B1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-08-18 EP claimed
US-6600050-B2 Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes WELLA AG (DE) 2003-07-29 US claimed
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US claimed
EP-1268436-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-01-02 EP claimed
WO-2002072556-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-19 WO claimed
US-7462204-B2 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds WELLA AG (DE) 2008-12-09 US disclosed
WO-2008047210-A2 COMPOUNDS DERIVED FROM 1 -ETHYL-4,5-DIAMINO-PYRAZOLE AND THEIR USE FOR OXIDATIVE DYEING OF KERATIN FIBRES KEMON S.P.A. (IT) 2008-04-24 WO disclosed
EP-1817379-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS The Procter and Gamble Company (US) 2007-08-15 EP disclosed
US-7195649-B2 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds WELLA AG (DE) 2007-03-27 US disclosed
US-20070056120-A1 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2007-03-15 US disclosed
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
EP-1257249-B1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AG (DE) 2006-11-02 EP disclosed
EP-1313434-A1 OXIDATION DYE Wella Aktiengesellschaft (DE) 2003-05-28 EP disclosed
EP-1268436-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-01-02 EP disclosed
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-21 US disclosed
EP-1257249-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES Wella Aktiengesellschaft (DE) 2002-11-20 EP disclosed
WO-2002072556-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-19 WO disclosed
WO-2002069918-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed
WO-2002069919-A1 OXIDATION DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed
EP-1236460-A1 Bridged diamino pyrazoles and colouring agents containing them Wella Aktiengesellschaft (DE) 2002-09-04 EP disclosed

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-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 GAA 3856/4885MAPT 857/4885KDM4E 1607/4885
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds AOC1, DPYD, PPOX GAA 1099/4885MAPT 349/4885KDM4E 4600/4885
US-20070056120-A1 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds KRT18, DSP, TUBA4A GAA 3569/4885MAPT 1151/4885KDM4E 534/4885
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same ALK, DDC, CBR1 GAA 3338/4885MAPT 4236/4885KDM4E 1827/4885

“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.