SCHEMBL109790

SCHEMBL109790

CCN(CCO)c1ccc(NCC(O)CO)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HCAR3 P49019 4/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
BDKRB1 P46663 1/20 0.38
PKM P14618 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.36

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
Hydrochloric Acid SCHEMBL455539 0.99 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL8748875 0.93 ALDH1A1 (0.71) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL17693663 0.91 ALDH1A1 (0.65) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL111249 0.86 ALDH1A1 (0.55) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL7590622 0.86 ALDH1A1 (0.70) ALDH1A1TSHRTDP1HCAR3MAPT
Hydrochloric Acid SCHEMBL1136861 0.85 ALDH1A1 (0.54) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL210589 0.85 ALDH1A1 (0.85) ALDH1A1TSHRTDP1HCAR3MAPT
Hydrochloric Acid SCHEMBL30100543 0.84 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HCAR3MAPT
Hydrochloric Acid SCHEMBL454521 0.84 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HCAR3MAPT
SCHEMBL9021305 0.83 MAPT (0.56) ALDH1A1TSHRTDP1HCAR3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898954-B1 Composition for dyeing keratin fibres WELLA AG (DE) 2004-09-15 EP claimed
EP-0898954-A2 Composition for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1999-03-03 EP claimed
EP-0601302-B1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes WELLA AG (DE) 1996-07-10 EP claimed
EP-0608393-B1 HAIR DYES WELLA AG (DE) 1996-03-20 EP claimed
EP-0600045-B1 HAIR DYE WELLA AG (DE) 1996-01-24 EP claimed
US-5468256-A Solvent, anionic, cationic or nonionic surfactant with monoazo dye WELLA AKTIENGESELLSCHAFT (DE) 1995-11-21 US claimed
EP-0601302-A1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes Wella Aktiengesellschaft (DE) 1994-06-15 EP claimed
EP-0376047-B1 2-Amino-6-chloro-4-nitrophenol derivatives, process for their preparation and hair dyeing agent containing the same WELLA AG (DE) 1994-05-04 EP claimed
US-5067966-A Direct dyeing nitro dye for hair dyes which can be combined with a polymer WELLA AKTIENGESELLSCHAFT (DE) 1991-11-26 US claimed
EP-2424491-B1 FILM FORMER IN HAIR COLOURS HENKEL AG & CO KGAA (DE) 2017-05-24 EP disclosed
US-9248086-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-02-02 US disclosed
US-9248086-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-02-02 US disclosed
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2015-06-25 US disclosed
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2015-06-25 US disclosed
US-5468256-A Solvent, anionic, cationic or nonionic surfactant with monoazo dye WELLA AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
US-5409502-A Acid resistance WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0601302-A1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes Wella Aktiengesellschaft (DE) 1994-06-15 EP disclosed
EP-0376047-B1 2-Amino-6-chloro-4-nitrophenol derivatives, process for their preparation and hair dyeing agent containing the same WELLA AG (DE) 1994-05-04 EP disclosed
US-5067966-A Direct dyeing nitro dye for hair dyes which can be combined with a polymer WELLA AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
WO-1990007557-A1 2-AMINO-6-CHLOR-4-NITROPHENOL DERIVATIVES, PROCESS FOR OBTAINING THEM AND HAIR DYE CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 1990-07-12 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 (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-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 ALDH1A1 192/4885TSHR 4752/4885TDP1 841/4885

“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.