Sugi Predict

Sugi Predict / Compounds / SCHEMBL108993

SCHEMBL108993

SCHEMBL108993

O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC(O)CO

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ PKM P14618 1/20 0.62
▸ GAA P10253 3/20 0.55
▸ MAPT P10636 11/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPK1 P28482 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HTT P42858 3/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ THRB P10828 1/20 0.51
▸ ALOX12 P18054 1/20 0.49

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
SCHEMBL29516649 1.00 KMT2A (0.62) KMT2AMEN1PKMGAAMAPT
SCHEMBL9795841 0.90 KMT2A (0.50) KMT2AMEN1PKMGAAMAPT
SCHEMBL5697339 0.90 KMT2A (0.59) KMT2AMEN1PKMGAAMAPT
SCHEMBL5697243 0.86 KMT2A (0.60) KMT2AMEN1PKMGAAMAPT
SCHEMBL6004401 0.83 MAPT (0.52) KMT2AMEN1PKMGAAMAPT
SCHEMBL117698 0.83 KMT2A (0.66) KMT2AMEN1PKMGAAMAPT
SCHEMBL9658215 0.83 MEN1 (0.48) KMT2AMEN1PKMGAAMAPT
SCHEMBL10896768 0.81 MAPT (0.45) KMT2AMEN1PKMGAAMAPT
SCHEMBL112411 0.81 GAA (0.67) KMT2AMEN1PKMGAAMAPT
SCHEMBL29392652 0.81 GAA (0.67) KMT2AMEN1PKMGAAMAPT

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 1271 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799092-B2 Composition for simultaneously bleaching and dyeing keratin fibers, comprising at least one anionic or nonionic direct dye and at least one associative polymer L'OREAL S.A. (FR) 2010-09-21 — — US claimed
US-7736395-B2 direct dyes L'OREAL S.A. (FR) 2010-06-15 — — US claimed
EP-1738800-B1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an asociative polymer OREAL (FR) 2010-06-09 — — EP claimed
EP-1738801-B1 Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an inert organic liquid OREAL (FR) 2010-06-09 — — EP claimed
EP-2158942-A2 Direct hair dye composition comprising insoluble oxygenated compounds and processes L'Oreal (FR) 2010-03-03 — — EP claimed
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
EP-1757326-A1 Direct dying composition comprising insoluble oxygenated compounds and processes L'Oréal (FR) 2007-02-28 — — EP claimed
US-20070033743-A1 direct dyes L'OREAL S.A. (FR) 2007-02-15 — — US claimed
WO-1991009588-A1 HAIR TONING AGENT IN FOAM FORM WELLA AKTIENGESELLSCHAFT (DE) 1991-07-11 — — WO claimed
US-5030241-A Providing yellow and orange shades, with or without oxidation agent WELLA AKTIENGESELLSCHAFT (DE) 1991-07-09 — — US claimed
EP-0182330-B1 USE OF 2-NITROANILINE DERIVATIVES AS HAIR DYEING AGENTS, AND 2-NITROANILINE DERIVATIVES Wella Aktiengesellschaft (DE) 1991-05-15 — — EP claimed
EP-0226973-B1 4-BIS(2'-HYDROXYETHYL)AMINO-1-(3'-HYDROXYPROPYL)AMINO-2-NITRO-BENZENE, PROCESS FOR ITS PREPARATION AND MEANS FOR DYEING HAIR Wella Aktiengesellschaft (DE) 1991-03-06 — — EP claimed
US-4975093-A Hair dyeing compositions containing 2,6-dinitro-phenol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-12-04 — — US claimed
US-4950302-A Process for the production of 2,5-diamino-6-nitro-pyridine derivatives, their use in hair dye compositions and new 2,5-diamino-6-nitropyridine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-08-21 — — US claimed
WO-1989001473-A2 PROCESS FOR MANUFACTURING 2,5-DIAMINO-6-NITRO-PYRIDINE DERIVATIVES, THEIR USE IN HAIR DYES, AND NEW 2,5-DIAMINO-6-NITRO-PYRIDINE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1989-02-23 — — WO claimed
EP-0303878-A2 2,5-diamino-nitro-6-pyridine derivatives containing hair dyeing agents Wella Aktiengesellschaft (DE) 1989-02-22 — — EP claimed
WO-1988008696-A1 USE OF 2,6 DINITRO-ANILINE DERIVATIVES IN HAIR TINTING AGENTS AND NEW DERIVATIVES OF 2,6 DINITRO-ANILINE WELLA AKTIENGESELLSCHAFT (DE) 1988-11-17 — — WO claimed
EP-0226973-A2 4-Bis(2'-hydroxyethyl)amino-1-(3'-hydroxypropyl)amino-2-nitro-benzene, process for its preparation and means for dyeing hair Wella Aktiengesellschaft (DE) 1987-07-01 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070033743-A1 direct dyes KRT18, DSG1, DSP KMT2A 243/4885MEN1 4515/4885PKM 1116/4885
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition KRT18, DSG1, PLOD2 KMT2A 1664/4885MEN1 4452/4885PKM 763/4885

“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.