SCHEMBL4803702

SCHEMBL4803702

COc1ccccc1Cn1ncc(N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.50
TLR7 Q9NYK1 1/20 0.49
ALDH1A1 P00352 5/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
IDO1 P14902 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.42
ADRA2B P18089 1/20 0.42
PTGS1 P23219 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6002694 0.84 TSHR (0.47) NPBWR1ALDH1A1GAAMAPTMEN1
SCHEMBL6003395 0.83 P2RX3 (0.35) NPBWR1TLR7ALDH1A1GAAMAPT
SCHEMBL6002675 0.83 TSHR (0.36) ALDH1A1GAAMAPTTAAR1TSHR
SCHEMBL4805719 0.80 TSHR (0.53) NPBWR1ALDH1A1MAPTIDO1TAAR1
SCHEMBL1491059 0.77 NPBWR1 (0.48) NPBWR1TLR7ALDH1A1GAAMAPT
SCHEMBL4805694 0.76 ALDH1A1 (0.56) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL3583563 0.75 PTGER1 (0.47) ALDH1A1GAAMAPTIDO1TAAR1
SCHEMBL6003921 0.74 TSHR (0.42) NPBWR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL29158354 0.73 TLR7 (0.46) TLR7ALDH1A1GAAMAPTIDO1
SCHEMBL21523721 0.73 MAPT (0.61) ALDH1A1GAAMAPTIDO1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257249-B1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AG (DE) 2006-11-02 EP claimed
US-7018426-B2 Oxidation dye WELLA AG (DE) 2006-03-28 US claimed
EP-1313434-B1 OXIDATION DYE WELLA AG (DE) 2005-01-12 EP claimed
US-6793687-B2 YELLOW AND ORANGE RANGE COLORING WELLA AKTIENGESELLSCHAFT (DE) 2004-09-21 US claimed
US-20030159222-A1 Oxidation dye HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-08-28 US claimed
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-17 US claimed
EP-1313434-A1 OXIDATION DYE Wella Aktiengesellschaft (DE) 2003-05-28 EP claimed
EP-1257249-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES Wella Aktiengesellschaft (DE) 2002-11-20 EP claimed
WO-2002069918-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO claimed
WO-2002069919-A1 OXIDATION DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO claimed
US-7374583-B2 Cationic azacyanine dyes and coloring agents containing said dyes THE PROCTER & GAMBLE COMPANY (US) 2008-05-20 US disclosed
US-20070220685-A1 Cationic azacyanine dyes and coloring agents containing said dyes THE PROCTER & GAMBLE COMPANY (US) 2007-09-27 US disclosed
EP-1802375-A1 CATIONIC AZACYANINE DYES AND COLORANTS CONTAINING THESE Wella Aktiengesellschaft (DE) 2007-07-04 EP disclosed
EP-1257249-B1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AG (DE) 2006-11-02 EP disclosed
WO-2006042614-A1 CATIONIC AZACYANINE DYES AND COLORANTS CONTAINING THESE THE PROCTER & GAMBLE COMPANY (US) 2006-04-27 WO disclosed
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-17 US disclosed
EP-1313434-A1 OXIDATION DYE Wella Aktiengesellschaft (DE) 2003-05-28 EP disclosed
EP-1257249-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES Wella Aktiengesellschaft (DE) 2002-11-20 EP disclosed
WO-2002069919-A1 OXIDATION DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed
WO-2002069918-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO 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 (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-20030159222-A1 Oxidation dye KRT18, NOX4, VIM NPBWR1 4252/4885TLR7 3943/4885ALDH1A1 55/4885
US-20070220685-A1 Cationic azacyanine dyes and coloring agents containing said dyes KRT18, DNMT1, NUP205 NPBWR1 2755/4885TLR7 3994/4885ALDH1A1 1945/4885
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives KRT18, AOC1, PPOX NPBWR1 4354/4885TLR7 4271/4885ALDH1A1 70/4885

“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.