SCHEMBL5494818

SCHEMBL5494818

CCOn1c(C)nn2c(N)cc(N)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 3/20 0.32
HPGD P15428 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
PKM P14618 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL5492695 0.72 MAPK8 (0.33) MAPK8MAPK9MAPK10ALDH1A1KDM4E
SCHEMBL5491316 0.71 MAPK8 (0.32) MAPK8MAPK9MAPK10
SCHEMBL5486644 0.69
SCHEMBL5491310 0.68 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL5489474 0.68 CSNK1D (0.39) ALDH1A1MEN1KMT2AMAPT
SCHEMBL4914776 0.62 LMNA (0.37) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5496039 0.61 MAPK8 (0.34) MAPK8MAPK9MAPK10KMT2A
SCHEMBL13006863 0.59 MAPK8 (0.40) MAPK8MAPK9MAPK10ALDH1A1KDM4E
SCHEMBL4910673 0.59 MEN1 (0.38) MEN1KMT2AMAPT
SCHEMBL5490350 0.57

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-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
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 MAPK8 1594/4885MAPK9 1521/4885MAPK10 1550/4885

“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.