Sugi Predict

Sugi Predict / Compounds / SCHEMBL209875

SCHEMBL209875

SCHEMBL209875

CC(O)Nc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.51
▸ MAPT P10636 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TDP1 Q9NUW8 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ADRB2 P07550 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ MMP2 P08253 1/20 0.43

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
SCHEMBL1888218 0.83 HCAR3 (0.54) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL3378072 0.83 ALDH1A1 (0.50) TSHRMAPTALDH1A1GAAHPGD
SCHEMBL8602531 0.79 MAPT (0.43) TSHRMAPTALDH1A1HTTGAA
SCHEMBL8616784 0.79 ALDH1A1 (0.56) TSHRMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL112673 0.78 TSHR (0.59) TSHRMAPTALDH1A1HTTGAA
SCHEMBL18892716 0.77 ALDH1A1 (0.43) TSHRMAPTALDH1A1HTTGAA
SCHEMBL28358317 0.76 CA12 (0.59) MAPTALDH1A1HTTGAAHPGD
SCHEMBL3911774 0.76 HTT (0.66) TSHRMAPTALDH1A1HTTGAA
SCHEMBL29674877 0.76 HTT (0.66) TSHRMAPTALDH1A1HTTGAA
SCHEMBL4928241 0.76 ADRB2 (0.46) TSHRMAPTALDH1A1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7651534-B2 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL SA (FR) 2010-01-26 — — US claimed
EP-1757326-B1 Direct dying composition comprising insoluble oxygenated compounds and processes OREAL (FR) 2009-01-07 — — EP claimed
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL S.A. (FR) 2007-03-01 — — US claimed
US-4985042-A New substituted metaaminophenols, a process for their preparation, hair-dyeing compositions containing them and a hair-dyeing process L'OREAL (FR) 1991-01-15 — — US claimed
US-4954131-A Substituted metaaminophenols, a process for their preparation, hair-dyeing compositions containing them and a hair-dyeing process L'OREAL (FR) 1990-09-04 — — US claimed
US-4863480-A OXIDATION COLOR DYES THE FRENCH JOINT STOCK COMPANY "L'OREAL" (FR) 1989-09-05 — — US claimed
EP-4362906-A1 COMPOSITION COMPRISING SHEA, AN ALKYL(POLY)GLYCOSIDE, A POLYSACCHARIDE AND A DYE L'OREAL (FR) 2024-05-08 — — EP disclosed
US-11857662-B2 Hair coloring compositions and methods thereof KAO USA INC. (US) 2024-01-02 — — US disclosed
US-11696884-B2 Compositions comprising menthol compounds as smoothing agents SYMRISE AG (DE) 2023-07-11 — — US disclosed
WO-2023275187-A1 COMPOSITION COMPRISING SHEA, AN ALKYL(POLY)GLYCOSIDE, A POLYSACCHARIDE AND A DYE L'OREAL (FR) 2023-01-05 — — WO disclosed
WO-2023275170-A1 COMPOSITION COMPRISING AT LEAST ONE ALKANOLAMINE, A (META)SILICATE, GLYCINE AND 1,3-PROPANEDIOL L'OREAL (FR) 2023-01-05 — — WO disclosed
US-11344489-B2 Azomethine dye chromophores BASF SE (DE) 2022-05-31 — — US disclosed
US-20220016007-A1 Azomethine Dye Chromophores BASF SE (DE) 2022-01-20 — — US disclosed
EP-1094782-A1 OXIDATIVE HAIR DYEING AGENT Wella Aktiengesellschaft (DE) 2001-05-02 — — EP disclosed
WO-2000069400-A1 OXIDATIVE HAIR DYEING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2000-11-23 — — WO disclosed
EP-0648204-B1 AMINO DEOXYALDITOL LIPOPHILIC DERIVATIVES FOR USE IN COSMETICS, COSMETIC COMPOSITIONS CONTAINING SAME AND NOVEL ALKYL CARBAMATES OREAL (FR) 1998-11-18 — — EP disclosed
EP-0470381-B1 Hair treatment composition and hair dye composition KAO CORP (JP) 1996-01-10 — — EP disclosed
US-4985042-A New substituted metaaminophenols, a process for their preparation, hair-dyeing compositions containing them and a hair-dyeing process L'OREAL (FR) 1991-01-15 — — US disclosed
US-4954131-A Substituted metaaminophenols, a process for their preparation, hair-dyeing compositions containing them and a hair-dyeing process L'OREAL (FR) 1990-09-04 — — US disclosed
US-4863480-A OXIDATION COLOR DYES THE FRENCH JOINT STOCK COMPANY "L'OREAL" (FR) 1989-09-05 — — US 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-11696884-B2 Compositions comprising menthol compounds as smoothing agents SMURF1, SMURF2, S1PR2 TSHR 4043/4885MAPT 823/4885ALDH1A1 1651/4885
US-11344489-B2 Azomethine dye chromophores KRT18, IK, JUP TSHR 4801/4885MAPT 220/4885ALDH1A1 770/4885
US-11857662-B2 Hair coloring compositions and methods thereof SPAG5, ACR, MUC1 TSHR 3261/4885MAPT 944/4885ALDH1A1 196/4885
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition KRT18, DSG1, PLOD2 TSHR 4670/4885MAPT 645/4885ALDH1A1 188/4885
US-20220016007-A1 Azomethine Dye Chromophores KRT18, IK, JUP TSHR 4801/4885MAPT 220/4885ALDH1A1 770/4885

“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.