SCHEMBL5159243

SCHEMBL5159243

COc1cc([N+](=O)[O-])cc(C)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.59
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 7/20 0.50
CYP3A4 P08684 3/20 0.50
ERN1 O75460 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 3/20 0.44
GPR35 Q9HC97 1/20 0.43
PKM P14618 1/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX5 P09917 1/20 0.41
RECQL P46063 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
CYP19A1 P11511 1/20 0.41
PTGS2 P35354 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL31405107 1.00 HTT (0.59) HTTTDP1ALDH1A1CYP3A4ERN1
SCHEMBL7929928 0.89 HTT (0.67) HTTTDP1ALDH1A1CYP3A4ERN1
SCHEMBL477199 0.84 HTT (0.66) HTTTDP1ALDH1A1CYP3A4ERN1
SCHEMBL29407238 0.84 HTT (0.66) HTTTDP1ALDH1A1CYP3A4ERN1
SCHEMBL3600387 0.82 ALDH1A1 (0.63) HTTTDP1ALDH1A1CYP3A4POLB
SCHEMBL11524810 0.82 HTT (0.59) HTTTDP1ALDH1A1CYP3A4ERN1
SCHEMBL29406556 0.82 HTT (0.59) HTTTDP1ALDH1A1CYP3A4ERN1
SCHEMBL11422478 0.81 HTT (0.53) HTTTDP1ALDH1A1CYP3A4ERN1
SCHEMBL10882469 0.81 ALDH1A1 (0.67) HTTTDP1ALDH1A1CYP3A4ERN1
SCHEMBL3795414 0.81 ALDH1A1 (0.61) HTTTDP1ALDH1A1CYP3A4ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 EP disclosed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 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-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers KRT18, DSP, CDC73 HTT 4243/4885TDP1 2249/4885ALDH1A1 159/4885

“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.