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SCHEMBL109353

SCHEMBL109353

O=[N+]([O-])c1cc(N(CCO)CCO)ccc1Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ TSHR P16473 1/20 0.67
▸ HCAR3 P49019 1/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ MAPK1 P28482 2/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ MAPT P10636 4/20 0.52
▸ POLB P06746 1/20 0.52
▸ WNK1 Q9H4A3 1/20 0.49
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ GAA P10253 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ AKR1B1 P15121 1/20 0.45
▸ AKR1C4 P17516 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45
▸ AKR1C1 Q04828 1/20 0.45
▸ ALDH3A1 P30838 1/20 0.45

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
SCHEMBL22103412 0.89 TDP1 (0.55) TDP1ALDH1A1TSHRHCAR3L3MBTL1
SCHEMBL10531646 0.88 TDP1 (0.61) TDP1ALDH1A1TSHRHCAR3MAPT
SCHEMBL1437440 0.87 TDP1 (0.63) TDP1ALDH1A1TSHRHCAR3L3MBTL1
SCHEMBL10529362 0.84 ALDH1A1 (0.60) TDP1ALDH1A1TSHRHCAR3L3MBTL1
SCHEMBL11340714 0.84 MEN1 (0.61) TDP1ALDH1A1TSHRHCAR3L3MBTL1
SCHEMBL20288304 0.83 ALDH1A1 (0.60) TDP1ALDH1A1TSHRHCAR3L3MBTL1
SCHEMBL9623036 0.82 ALDH1A1 (0.57) TDP1ALDH1A1TSHRHCAR3L3MBTL1
SCHEMBL20280585 0.81 ALDH1A1 (0.48) TDP1ALDH1A1TSHRHCAR3L3MBTL1
Hc Blue No. 1 SCHEMBL29683680 0.81 ALDH1A1 (0.73) TDP1ALDH1A1TSHRHCAR3MAPK1
Hc Blue No. 1 SCHEMBL2467623 0.81 ALDH1A1 (0.73) TDP1ALDH1A1TSHRHCAR3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 — — EP disclosed
EP-2044977-B1 Hair dye with oxidative pre-treatment HENKEL AG & CO KGAA (DE) 2018-02-14 — — EP disclosed
EP-2802383-B1 USE OF PROPYLENE OXIDE-MODIFIED STARCH FOR IMPROVING ARTIFICIAL COLOURING OF KERATIN FIBRES HENKEL AG & CO KGAA (DE) 2018-01-03 — — EP disclosed
EP-2324811-B1 Foam-like dye HENKEL AG & CO KGAA (DE) 2018-01-03 — — EP disclosed
EP-2320864-B1 HAIR PREPARATION COMPRISING CHITOSAN SUCCINAMIDE HENKEL AG & CO KGAA (DE) 2017-08-16 — — EP disclosed
EP-2424491-B1 FILM FORMER IN HAIR COLOURS HENKEL AG & CO KGAA (DE) 2017-05-24 — — EP disclosed
US-9161898-B2 Compositions for colouring keratin fibres HENKEL AG & CO. KGAA (DE) 2015-10-20 — — US disclosed
EP-2930126-A1 Fashionable aerosol dye Henkel AG & Co. KGaA (DE) 2015-10-14 — — EP disclosed
EP-1944010-B1 Brightening and/or colouring agent with acrylic acid derivative(s) HENKEL AG & CO KGAA (DE) 2015-03-11 — — EP disclosed
EP-2802383-A2 USE OF PROPYLENE OXIDE-MODIFIED STARCH FOR IMPROVING ARTIFICIAL COLOURING OF KERATIN FIBRES Henkel AG&Co. KGAA (DE) 2014-11-19 — — EP disclosed
WO-2002067882-A1 HAIR COLORANT IN THE FORM OF A CREAMY PERMANENT MOUSSE OR A STABLE FOAMED CREME COLORANT WELLA AKTIENGESELLSCHAFT (DE) 2002-09-06 — — WO disclosed
US-20020106341-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR WELLA OPERATIONS US, LLC 2002-08-08 — — US disclosed
WO-2002045675-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G - CLAIROL, INC. (US) 2002-06-13 — — WO disclosed
EP-1185531-A1 CATIONIC PYRROLO-PYRROL-DERIVATIVES, METHOD FOR PRODUCING THEM AND COLORANTS FOR KERATIN FIBRES, CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2002-03-13 — — EP disclosed
WO-2002017866-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-03-07 — — WO disclosed
WO-2001062759-A1 CATIONIC PYRROLO-PYRROL-DERIVATIVES, METHOD FOR PRODUCING THEM AND COLORANTS FOR KERATIN FIBRES, CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-08-30 — — WO 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
EP-0688767-A1 5-mercapto-2-nitro paraphenylenediamine compounds and hair dye compositions containing same Bristol-Myers Squibb Company (US) 1995-12-27 — — 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 (1 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-20020106341-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR CYC1, MT-CO1, PYCR1 TDP1 1982/4885ALDH1A1 61/4885TSHR 3470/4885

“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.