SCHEMBL5484259

SCHEMBL5484259

Nc1ccn2ncn(N)c12

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMPD3 Q9NY59 1/20 0.30

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
SCHEMBL5488217 0.72 SMPD3 (0.30) SMPD3
SCHEMBL5490145 0.62
SCHEMBL4911637 0.57
SCHEMBL17847672 0.56 MAP4K4 (0.38) SMPD3
SCHEMBL25421804 0.54 MAP4K4 (0.36) SMPD3
SCHEMBL6745049 0.54 MAP4K4 (0.36) SMPD3
SCHEMBL18839991 0.54 MAP4K4 (0.36) SMPD3
SCHEMBL4911715 0.54
SCHEMBL5485401 0.53 SMPD3 (0.35) SMPD3
SCHEMBL23055423 0.53 MAP4K4 (0.39) ALDH1A1SMPD3

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-7288123-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-10-30 US claimed
US-20060042024-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof NOXELL CORPORATION 2006-03-02 US claimed
US-7288123-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-10-30 US disclosed
EP-1781237-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026432-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-20060042024-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof NOXELL CORPORATION 2006-03-02 US 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-20060042024-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, NOX5, JUP ALDH1A1 685/4885HPGD 36/4885ALOX15 626/4885

“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.