SCHEMBL5158786

SCHEMBL5158786

COc1cc([N+](=O)[O-])c(NC(C)O)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
G6PD P11413 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL3322365 0.80 MAPT (0.56) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL9655293 0.75 MAPT (0.41) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL2402093 0.73 GPR35 (0.61) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3337954 0.73 MAPT (0.48) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL25723245 0.72 MAPK1 (0.50) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL9657631 0.71 MAPT (0.56) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL11796350 0.71 MAPT (0.56) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4745055 0.71 MAPT (0.56) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL20970479 0.71 ALDH1A1 (0.50) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL25272394 0.71 ALDH1A1 (0.46) MAPTMAPK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1387661-B1 TWO-PART AQUEOUS COMPOSITION FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2007-01-24 EP disclosed
EP-1039876-B1 DIRECT HAIR DYE COMPOSITIONS AND METHODS CONTAINING NOVEL ANTHRAQUINONE MIXTURES P & G CLAIROL INC (US) 2006-06-07 EP disclosed
EP-1387661-A4 TWO-PART AQUEOUS COMPOSITION FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2005-01-26 EP disclosed
EP-1039876-A4 DIRECT HAIR DYE COMPOSITIONS AND METHODS CONTAINING NOVEL ANTHRAQUINONE MIXTURES P & G CLAIROL INC (US) 2005-01-19 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-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-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-20020144355-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 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
EP-1039876-A1 DIRECT HAIR DYE COMPOSITIONS AND METHODS CONTAINING NOVEL ANTHRAQUINONE MIXTURES Bristol-Myers Squibb Company (US) 2000-10-04 EP disclosed
US-5961664-A THREE 1,4-HYDROXYALKYLAMINO-ANTHRAQUINONE DERIVATIVES, WHEREIN TWO OF THE ANTHRAQUINONE COMPOUNDS IN THE MIXTURE ARE SYMMETRIC AND THE OTHER ANTHRAQUINONE COMPOUND IS ASYMMETRIC, AND WHEREIN EACH OF THE ANTHRAQUINONE COMPOUNDS HAS SIMILAR BRISTOL-MYERS SQUIBB COMPANY (US) 1999-10-05 US disclosed
WO-1999002124-A2 DIRECT HAIR DYE COMPOSITIONS AND METHODS CONTAINING NOVEL ANTHRAQUINONE MIXTURES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-21 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 (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-20020144355-A1 Primary intermediates for oxidative coloration of hair CYC1, CBR1, CBR3 MAPT 4479/4885MAPK1 513/4885ALDH1A1 7/4885
US-20030005526-A1 Two-part aqueous composition for oxidative coloration of hair LPO, SQOR, CYB5R3 MAPT 1971/4885MAPK1 3794/4885ALDH1A1 589/4885
US-20020106341-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR CYC1, MT-CO1, PYCR1 MAPT 4698/4885MAPK1 423/4885ALDH1A1 61/4885
US-20020194683-A1 Two-part aqueous composition for oxidative coloration of hair LPO, SQOR, GPX4 MAPT 2151/4885MAPK1 2737/4885ALDH1A1 376/4885

“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.