SCHEMBL5158792

SCHEMBL5158792

COc1c([N+](=O)[O-])cc(NCCO)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 6/20 0.43
TPMT P51580 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 3/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 1/20 0.39
MAPK1 P28482 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
SCHEMBL27521537 0.85 MAPT (0.44) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL3322371 0.81 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL4535542 0.78 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL29588009 0.78 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL3915226 0.76 KMT2A (0.53) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL9480877 0.76 MAPT (0.52) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL3337954 0.75 MAPT (0.48) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL2938667 0.75 MEN1 (0.54) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL9776299 0.74 HCAR3 (0.64) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL3378074 0.73 EGFR (0.61) ALDH1A1KMT2ATSHRTDP1MAPT

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 ALDH1A1 7/4885MEN1 4589/4885KMT2A 1560/4885
US-20030005526-A1 Two-part aqueous composition for oxidative coloration of hair LPO, SQOR, CYB5R3 ALDH1A1 589/4885MEN1 4759/4885KMT2A 3205/4885
US-20020106341-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR CYC1, MT-CO1, PYCR1 ALDH1A1 61/4885MEN1 3341/4885KMT2A 2295/4885
US-20020194683-A1 Two-part aqueous composition for oxidative coloration of hair LPO, SQOR, GPX4 ALDH1A1 376/4885MEN1 4649/4885KMT2A 3354/4885

“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.