SCHEMBL4859909

SCHEMBL4859909

COCc1cc([N+](=O)[O-])ccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPT P10636 2/20 0.64
CYP19A1 P11511 12/20 0.59
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
ALDH1A1 P00352 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
GAA P10253 1/20 0.47
CRHBP P24387 1/20 0.47
HTT P42858 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 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
SCHEMBL22118196 0.89 MEN1 (0.67) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL8677004 0.85 MEN1 (0.62) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL214776 0.85 MEN1 (0.62) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL8161189 0.85 MAPT (0.62) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL30721937 0.83 MAPT (0.67) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL2063456 0.83 MAPT (0.67) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL5929724 0.83 MAPT (0.67) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL30354869 0.83 MAPT (0.67) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL31418722 0.83 MEN1 (0.70) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL371728 0.83 MEN1 (0.70) MEN1KMT2AMAPTCYP19A1CYP11B1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-20060026773-A1 Ortho-and/or meta-substituted N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers containing such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S.A. (FR) 2006-02-09 US disclosed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US disclosed
EP-1568686-A1 n-alkylaminated secondary paraphenylendiamine, which is ortho- and/or meta-substituted, dying composition comprising this paraphenylendiamine, methods based on this composition and uses L'OREAL (FR) 2005-08-31 EP disclosed
EP-1568355-A1 N-alkylhydroxilated secondary paraphenylenediamine which is ortho- and/or meta substituted, composition for dying keratinous fibres comprising this paraphenylenediamine, methods based on this composition and uses. L'OREAL (FR) 2005-08-31 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 (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-20060026773-A1 Ortho-and/or meta-substituted N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers containing such a para-phenylenediamine, processes using this composition and uses thereof KRT18, CDC73, TYR MEN1 2009/4885KMT2A 859/4885MAPT 593/4885
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith KRT18, CDC73, TYR MEN1 2557/4885KMT2A 821/4885MAPT 744/4885

“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.