SCHEMBL5944667

SCHEMBL5944667

CN(C)c1ccc[n+]([O-])c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TLR8 Q9NR97 1/20 0.36
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PABPC1 P11940 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5944719 0.79 KMT2A (0.38) LMNAHTTKMT2AL3MBTL1
SCHEMBL5945040 0.79 ALDH1A1 (0.35) TLR8GAAMAPTKDM4ELMNA
SCHEMBL5945126 0.77 GAA (0.37) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL5944784 0.76 CRHR1 (0.35) TLR8ALDH1A1
SCHEMBL11314107 0.71
SCHEMBL5945045 0.71 MEN1 (0.34) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL4639026 0.70
Hydrochloric Acid SCHEMBL11705113 0.70 CYP3A4 (0.41) LMNAHTTKMT2ATSHRL3MBTL1
SCHEMBL11458541 0.67
SCHEMBL15528571 0.67

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-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US claimed
US-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 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-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KRTCAP2, NOX5 CHEK1 849/4885NEK2 322/4885LIMK1 2043/4885

“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.