Naphthoquinone

Naphthoquinone

SCHEMBL4110937

CC(C)CO.O=C1C=CC(=O)c2ccccc21

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 7/20 0.61
IDO1 P14902 5/20 0.61
MAOA P21397 3/20 0.61
MAOB P27338 2/20 0.61
SNCA P37840 2/20 0.61
PIN1 Q13526 2/20 0.61
EHMT2 Q96KQ7 2/20 0.61
AKT1 P31749 1/20 0.61
MAP2K1 Q02750 1/20 0.61
NSD1 Q96L73 1/20 0.61
EHMT1 Q9H9B1 1/20 0.61
SLC25A5 P05141 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2B6 P20813 1/20 0.42
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
MAPT P10636 6/20 0.42

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
Naphthoquinone SCHEMBL28159949 0.84 CDC25B (0.70) CDC25BIDO1MAOAMAOBSNCA
Naphthoquinone SCHEMBL8064673 0.84 CDC25B (0.70) CDC25BIDO1MAOAMAOBSNCA
Naphthoquinone SCHEMBL27995889 0.81 CDC25B (0.82) CDC25BIDO1MAOAMAOBSNCA
Naphthoquinone SCHEMBL4116599 0.80 CDC25B (0.64) CDC25BIDO1MAOAMAOBSNCA
Naphthoquinone SCHEMBL28356747 0.80 CDC25B (0.47) CDC25BIDO1MAOAMAOBSNCA
Naphthoquinone SCHEMBL11359780 0.78 IDO1 (1.00) CDC25BIDO1MAOAMAOBSNCA
Naphthoquinone SCHEMBL42139 0.78 IDO1 (1.00) CDC25BIDO1MAOAMAOBSNCA
Naphthoquinone SCHEMBL29354680 0.78 IDO1 (1.00) CDC25BIDO1MAOAMAOBSNCA
Naphthoquinone SCHEMBL8861335 0.78 IDO1 (1.00) CDC25BIDO1MAOAMAOBSNCA
Naphthoquinone SCHEMBL28565535 0.77 IDO1 (0.58) CDC25BIDO1MAOAMAOBSNCA

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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 US disclosed
EP-2010481-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS Fluofarma (FR) 2009-01-07 EP disclosed
WO-2007125196-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2007-11-08 WO 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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS CCNA1, MKI67, CCNT1 CDC25B 90/4885IDO1 1244/4885MAOA 1661/4885

“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.