Naphthoquinone

Naphthoquinone

SCHEMBL4116599

CCCO.O=C1C=CC(=O)c2ccccc21

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.64
IDO1 P14902 4/20 0.64
PIN1 Q13526 2/20 0.64
EHMT2 Q96KQ7 2/20 0.64
MAOA P21397 2/20 0.64
MAOB P27338 2/20 0.64
SNCA P37840 2/20 0.64
AKT1 P31749 1/20 0.64
MAP2K1 Q02750 1/20 0.64
NSD1 Q96L73 1/20 0.64
EHMT1 Q9H9B1 1/20 0.64
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 5/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 5/20 0.42
RECQL P46063 4/20 0.42
HPGD P15428 4/20 0.42
MAPK1 P28482 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 3/20 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 SCHEMBL8064673 0.91 CDC25B (0.70) CDC25BIDO1PIN1EHMT2MAOA
Naphthoquinone SCHEMBL27995889 0.83 CDC25B (0.82) CDC25BIDO1PIN1EHMT2MAOA
Naphthoquinone SCHEMBL27583560 0.83 CDC25B (0.58) CDC25BIDO1PIN1EHMT2MAOA
Naphthoquinone SCHEMBL4110937 0.80 CDC25B (0.61) CDC25BIDO1PIN1EHMT2MAOA
Naphthoquinone SCHEMBL28000500 0.80 IDO1 (0.61) CDC25BIDO1PIN1EHMT2MAOA
Naphthoquinone SCHEMBL42139 0.80 IDO1 (1.00) CDC25BIDO1PIN1EHMT2MAOA
Naphthoquinone SCHEMBL29354680 0.80 IDO1 (1.00) CDC25BIDO1PIN1EHMT2MAOA
Naphthoquinone SCHEMBL11359780 0.80 IDO1 (1.00) CDC25BIDO1PIN1EHMT2MAOA
Naphthoquinone SCHEMBL8861335 0.80 IDO1 (1.00) CDC25BIDO1PIN1EHMT2MAOA
Naphthoquinone SCHEMBL20501224 0.78 CDC25B (0.82) CDC25BIDO1PIN1EHMT2MAOA

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 1244/4885PIN1 928/4885

“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.