SCHEMBL5161208

SCHEMBL5161208

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GALR3 O60755 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 8/20 0.50
CYP3A4 P08684 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 6/20 0.48
POLB P06746 2/20 0.46
GPR35 Q9HC97 2/20 0.43
CYP19A1 P11511 1/20 0.38
RECQL P46063 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL5162979 0.89 HTT (0.66) HTTMEN1KMT2AGALR3SMN1; SMN2
SCHEMBL27485649 0.84 ALDH1A1 (0.49) HTTMEN1KMT2AGALR3SMN1; SMN2
SCHEMBL3600387 0.82 ALDH1A1 (0.63) HTTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL21653949 0.82 ALDH1A1 (0.58) HTTMEN1KMT2AGALR3SMN1; SMN2
SCHEMBL15325677 0.81 ALDH1A1 (0.46) HTTMEN1KMT2AGALR3SMN1; SMN2
SCHEMBL12824753 0.81 HTT (0.56) HTTMEN1KMT2AGALR3SMN1; SMN2
SCHEMBL19130787 0.80 MEN1 (0.82) HTTMEN1KMT2AGALR3SMN1; SMN2
SCHEMBL2119829 0.77 ALDH1A1 (0.62) HTTALDH1A1CYP3A4TDP1TSHR
SCHEMBL12825156 0.77 XDH (0.60) HTTMEN1KMT2AGALR3SMN1; SMN2
SCHEMBL698724 0.77 HTT (0.56) HTTMEN1KMT2AGALR3SMN1; SMN2

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-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 4243/4885MEN1 4466/4885KMT2A 2247/4885

“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.