SCHEMBL5163677

SCHEMBL5163677

Cc1cc([N+](=O)[O-])cc(C(C)C)c1N

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
CYP3A4 P08684 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 5/20 0.44
GPR35 Q9HC97 2/20 0.43
G6PD P11413 1/20 0.38
CYP19A1 P11511 1/20 0.38
RECQL P46063 1/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3607570 0.89 HTT (0.52) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL9109250 0.84 HTT (0.47) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL3600387 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL14369940 0.79 TSHR (0.52) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL2119829 0.77 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL2354936 0.77 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL6672266 0.76 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL12289327 0.75 TSHR (0.52) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL760393 0.74 ALDH1A1 (0.67) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL12929973 0.74 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1MAPTL3MBTL1

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 2 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
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 ALDH1A1 159/4885CYP3A4 328/4885TDP1 2249/4885

“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.