SCHEMBL4860161

SCHEMBL4860161

COCc1cc([N+](=O)[O-])ccc1NCCO

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
KMT2A Q03164 7/20 0.58
ALDH1A1 P00352 11/20 0.52
PKM P14618 2/20 0.50
MEN1 O00255 6/20 0.49
MAPT P10636 5/20 0.49
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
THRB P10828 2/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.44
CYP19A1 P11511 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
SCHEMBL14003601 0.92 ALDH1A1 (0.58) TSHRTDP1KMT2AALDH1A1PKM
SCHEMBL853943 0.82 KMT2A (0.62) TSHRTDP1KMT2AALDH1A1PKM
SCHEMBL111537 0.81 TSHR (0.73) TSHRTDP1KMT2AALDH1A1PKM
Methoxymethane SCHEMBL7082256 0.81 TSHR (0.61) TSHRTDP1KMT2AALDH1A1PKM
SCHEMBL29390085 0.81 TSHR (0.73) TSHRTDP1KMT2AALDH1A1PKM
SCHEMBL6277917 0.81 ALDH1A1 (0.41) KMT2AALDH1A1PKMMEN1MAPT
SCHEMBL29390514 0.79 KMT2A (0.70) TSHRTDP1KMT2AALDH1A1PKM
SCHEMBL126989 0.79 KMT2A (0.70) TSHRTDP1KMT2AALDH1A1PKM
SCHEMBL900753 0.79 MAPT (0.66) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL9682978 0.79 KMT2A (0.65) TSHRTDP1KMT2AALDH1A1PKM

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 3 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-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-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 (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-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 TSHR 4206/4885TDP1 1822/4885KMT2A 821/4885

“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.