SCHEMBL125017

SCHEMBL125017

CC(O)Nc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
TDP1 Q9NUW8 7/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GFER P55789 2/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ATM Q13315 1/20 0.55
CYP3A4 P08684 3/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
ALDH1A1 P00352 3/20 0.49
ALOX15 P16050 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL30369938 0.87 LMNA (0.59) MAPTTDP1MEN1KMT2AGFER
SCHEMBL17187172 0.87 LMNA (0.59) MAPTTDP1MEN1KMT2AGFER
SCHEMBL10713418 0.86 MAPT (0.55) MAPTTDP1MEN1KMT2AGFER
SCHEMBL6163411 0.85 SMN1; SMN2 (0.53) MAPTTDP1MEN1KMT2AGAA
SCHEMBL6156984 0.83 CRHBP (0.65) MAPTTDP1MEN1KMT2AGAA
SCHEMBL5517557 0.83 CXCR2 (0.50) MAPTTDP1MEN1KMT2AGAA
SCHEMBL11788134 0.83 ALDH1A1 (0.56) MAPTTDP1MEN1KMT2ACYP3A4
SCHEMBL7356741 0.82 MAPT (0.50) MAPTTDP1MEN1KMT2AGFER
SCHEMBL29203201 0.81 MAPT (0.62) MAPTTDP1MEN1KMT2AGFER
SCHEMBL8978493 0.81 MAPT (0.62) MAPTTDP1MEN1KMT2AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1430876-A1 Composition containing a direct dyestuff and a specific polymer for colouring of keratinic fibres, method for the preparation thereof and process of dyeing with such a composition L'OREAL (FR) 2004-06-23 EP claimed
EP-4362895-A1 COMPOSITION COMPRISING PROPANE-1,3-DIOL, AT LEAST ONE ALKANOLAMINE, AT LEAST ONE FATTY SUBSTANCE AND OPTIONALLY AT LEAST ONE POLYOL L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362893-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE ALKYL (POLY)GLYCOSIDE, N,N-DICARBOXYMETHYLGLUTAMIC ACID, PROPANE-1,3-DIOL, AT LEAST ONE FATTY SUBSTANCE OTHER THAN FATTY ACIDS, AT LEAST ONE DYE L'OREAL (FR) 2024-05-08 EP disclosed
EP-4362906-A1 COMPOSITION COMPRISING SHEA, AN ALKYL(POLY)GLYCOSIDE, A POLYSACCHARIDE AND A DYE L'OREAL (FR) 2024-05-08 EP disclosed
US-11696884-B2 Compositions comprising menthol compounds as smoothing agents SYMRISE AG (DE) 2023-07-11 US disclosed
US-11691035-B2 Oxidizing composition for the treatment of keratin fibers comprising at least one cationic polymer, at least one fatty amide and at least one anti-oxygen agent L'OREAL (FR) 2023-07-04 US disclosed
US-20230065360-A1 COSMETIC COMPOSITION COMPRISING A POLYMER COMPRISING AT LEAST ONE CATIONIC (METH)ACRYLAMIDE UNIT, A PARTICULAR SILICONE AND AT LEAST ONE SURFACTANT L'OREAL (FR) 2023-03-02 US disclosed
WO-2023275207-A1 COMPOSITION COMPRISING PROPANE-1,3-DIOL, AT LEAST ONE ALKANOLAMINE, AT LEAST ONE FATTY SUBSTANCE AND OPTIONALLY AT LEAST ONE POLYOL L'OREAL (FR) 2023-01-05 WO disclosed
EP-1380820-A1 Procedure of determining the composition of a dyeing product L'OREAL S.A. (FR) 2004-01-14 EP disclosed
US-20030152534-A1 Composition for dyeing keratin fibers comprising a particular aminosilicone L'OREAL S.A. (FR) 2003-08-14 US disclosed
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone L'OREAL S.A. (FR) 2003-07-31 US disclosed
US-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye L'OREAL S.A. (FR) 2003-06-12 US disclosed
EP-1312343-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL S.A. (FR) 2003-05-21 EP disclosed
EP-1312344-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL (FR) 2003-05-21 EP disclosed
EP-1297819-A2 Composition for dyeing keratinous fibres comprising a cationic azo dye L'OREAL (FR) 2003-04-02 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 (7 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-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye KRT18, TUBB3, TUBB1 MAPT 468/4885TDP1 3973/4885MEN1 707/4885
US-11696884-B2 Compositions comprising menthol compounds as smoothing agents SMURF1, SMURF2, S1PR2 MAPT 823/4885TDP1 2997/4885MEN1 1225/4885
US-20230065360-A1 COSMETIC COMPOSITION COMPRISING A POLYMER COMPRISING AT LEAST ONE CATIONIC (METH)ACRYLAMIDE UNIT, A PARTICULAR SILICONE AND AT LEAST ONE SURFACTANT KRT18, ACR, MUC1 MAPT 804/4885TDP1 1232/4885MEN1 347/4885
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition KRT18, DSG1, PLOD2 MAPT 645/4885TDP1 1969/4885MEN1 4452/4885
US-20030152534-A1 Composition for dyeing keratin fibers comprising a particular aminosilicone KRT18, TUBB8, TUBA8 MAPT 1587/4885TDP1 4255/4885MEN1 3438/4885
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone KRT18, TUBB3, TUBA3E MAPT 578/4885TDP1 2678/4885MEN1 3229/4885
US-11691035-B2 Oxidizing composition for the treatment of keratin fibers comprising at least one cationic polymer, at least one fatty amide and at least one anti-oxygen agent KRT18, OAT, CUTA MAPT 1187/4885TDP1 3266/4885MEN1 4793/4885

“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.