SCHEMBL5011801

SCHEMBL5011801

NCCNc1cccc(N)c1.Nc1cccc(NCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.47
FCGR1A P12314 1/20 0.47
FCGR2A P12318 1/20 0.47
DDX3X O00571 1/20 0.44
MAPT P10636 5/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 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
SCHEMBL94041 0.93 FCGR3B (0.51) FCGR3BFCGR1AFCGR2ADDX3XMAPT
SCHEMBL11472336 0.91 FCGR3B (0.50) FCGR3BFCGR1AFCGR2ADDX3XMAPT
SCHEMBL29631746 0.91 MAPT (0.50) DDX3XMAPTKDM4EMEN1LMNA
SCHEMBL456414 0.91 MAPT (0.50) DDX3XMAPTKDM4EMEN1LMNA
SCHEMBL11297862 0.88 FCGR3B (0.48) FCGR3BFCGR1AFCGR2ADDX3XMAPT
Methoxymethane SCHEMBL28074294 0.86 FCGR3B (0.47) FCGR3BFCGR1AFCGR2ADDX3XMAPT
Sulfuric Acid SCHEMBL10705119 0.85 DDX3X (0.47) FCGR3BFCGR1AFCGR2ADDX3XMAPT
SCHEMBL6780905 0.84 MAPT (0.40) FCGR3BFCGR1AFCGR2AMAPTKDM4E
SCHEMBL10866261 0.82 DDX3X (0.47) FCGR3BFCGR1AFCGR2ADDX3XMAPT
SCHEMBL13421330 0.81 FCGR3B (0.69) FCGR3BFCGR1AFCGR2AMAPTTDP1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449029-B2 Composition and process for color hair L'OREAL (FR) 2008-11-11 US disclosed
EP-1787686-A1 Composition and process for coloring hair L'Oréal (FR) 2007-05-23 EP disclosed
US-20070107142-A1 Composition and process for coloring hair L'OREAL (FR) 2007-05-17 US disclosed
EP-1387661-B1 TWO-PART AQUEOUS COMPOSITION FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2007-01-24 EP disclosed
EP-1387661-A4 TWO-PART AQUEOUS COMPOSITION FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2005-01-26 EP disclosed
US-6764523-B2 OXIDATIVE HAIR DYE FORMULATION CONSISTS OF 50% BY WEIGHT OF WATER, A TINCTORIAL EFFECTIVE AMOUNT OF A PRIMARY DYE INTERMEDIAE, A COUPLER, AND A HAIR CONDITIONER WHICH ISHYDROXYPROPYL BISISOSTEARAMIDOPROPYLDIMMONIUM CHLORIDE THE PROCTER & GAMBLE COMPANY 2004-07-20 US disclosed
EP-1414392-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR CLAIROL INC (US) 2004-07-14 EP disclosed
EP-1414392-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR Clairol Incorporated (US) 2004-05-06 EP disclosed
EP-1387661-A1 TWO-PART AQUEOUS COMPOSITION FOR OXIDATIVE COLORATION OF HAIR P & G-Clairol, Inc. (US) 2004-02-11 EP disclosed
US-6562080-B2 2-arylaminomethyl-4-aminophenols; light fastness, fastness to shampooing, fastness to permanent wave treatment CLAIROL INCORPORATED 2003-05-13 US disclosed
US-6547833-B2 A two-part high aqueous-content system for oxidative coloration of hair utilizing a developer formulation of water, a peroxide oxidizer and an anionic acrylate/beheneth-25 methacrylate copolymer CLAIROL INCORPORATED 2003-04-15 US disclosed
US-6521761-B2 For coloring hair CLAIROL INCORPORATED 2003-02-18 US disclosed
US-20030005526-A1 Two-part aqueous composition for oxidative coloration of hair CLAIROL INCORPORATED 2003-01-09 US disclosed
US-20020194683-A1 Two-part aqueous composition for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-12-26 US disclosed
WO-2002092035-A1 TWO-PART AQUEOUS COMPOSITION FOR OXIDATIVE COLORATION OF HAIR P & G-CLAIROL, INC. (US) 2002-11-21 WO disclosed
US-20020157191-A1 Two-part aqueous composition for oxidative coloration of hair CLAIROL INCORPORATED 2002-10-31 US disclosed
US-6461391-B1 Primary intermediates for oxidative coloration of hair CLAIROL INCORPORATED 2002-10-08 US disclosed
US-20020106341-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR WELLA OPERATIONS US, LLC 2002-08-08 US disclosed
US-6409773-B1 AMINOPHENOL COUPLERS CLAIROL INCORPORATED 2002-06-25 US disclosed
WO-2002045675-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G - CLAIROL, INC. (US) 2002-06-13 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 (5 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-20030005526-A1 Two-part aqueous composition for oxidative coloration of hair LPO, SQOR, CYB5R3 FCGR3B 3667/4885FCGR1A 4270/4885FCGR2A 3859/4885
US-20020106341-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR CYC1, MT-CO1, PYCR1 FCGR3B 4377/4885FCGR1A 4441/4885FCGR2A 4554/4885
US-20020157191-A1 Two-part aqueous composition for oxidative coloration of hair CYBB, LPO, DUOX2 FCGR3B 1502/4885FCGR1A 1911/4885FCGR2A 1213/4885
US-20020194683-A1 Two-part aqueous composition for oxidative coloration of hair LPO, SQOR, GPX4 FCGR3B 4023/4885FCGR1A 4478/4885FCGR2A 4254/4885
US-20070107142-A1 Composition and process for coloring hair SRM, SMOX, SMS FCGR3B 4879/4885FCGR1A 4875/4885FCGR2A 4884/4885

“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.