Naphthoquinone

Naphthoquinone

SCHEMBL3404556

O=C1C=CC(=O)c2ccccc21.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CDC25B P30305 1/20 0.45
AKT1 P31749 1/20 0.45
SNCA P37840 1/20 0.45
MAP2K1 Q02750 1/20 0.45
PIN1 Q13526 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
NSD1 Q96L73 1/20 0.45
EHMT1 Q9H9B1 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P4HB P07237 1/20 0.44
HK1 P19367 1/20 0.43
HK2 P52789 1/20 0.43

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
Anthraquinone SCHEMBL5981663 0.87 MEN1 (0.53) MEN1ALDH1A1MAPTHPGDKMT2A
Lawsone SCHEMBL23111263 0.83 P4HB (0.50) AKT1MEN1ALDH1A1MAPTHPGD
B-D-Galactose SCHEMBL15768434 0.79 PYGL (0.49) SLC5A2
Dextrose SCHEMBL3220374 0.79 PYGL (0.49) SLC5A2
D-Mannose SCHEMBL1660734 0.78 SLC5A2 (0.64) HK1HK2SLC5A2
Ribose (Furanose) SCHEMBL27934652 0.77 PYGL (0.47) HK1HK2SLC5A2
Ribose (Furanose) SCHEMBL5139187 0.77 PYGL (0.47) HK1HK2SLC5A2
Beta-D-Glucose SCHEMBL27745359 0.76 LGALS1 (0.52) HK1HK2SLC5A2
B-D-Galactose SCHEMBL28251165 0.76 LGALS1 (0.52) HK1HK2SLC5A2
Dextrose SCHEMBL28143229 0.76 LGALS1 (0.52) HK1HK2SLC5A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252569-B1 ANTIINFECTIVE AND ANTITUMORAL COMPOUNDS ISOLATED FROM TROPICAL LIANAS JULIUS MAXIMILIANS UNIVERSITÄT WÜRZBURG (DE) 2016-10-05 EP disclosed
US-8877718-B2 Antiinfective and antitumoral compounds isolated from tropical lianas JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2014-11-04 US disclosed
US-20110059911-A1 Antiinfective and Antitumoral Compounds Isolated From Tropical Lianas JULIUS-MAXIMILIANS-UNIVERSITAT WURZBURG (DE) 2011-03-10 US disclosed
EP-2252569-A2 ANTIINFECTIVE AND ANTITUMORAL COMPOUNDS ISOLATED FROM TROPICAL LIANAS Julius-Maximilians-Universität Würzburg (DE) 2010-11-24 EP disclosed
CN-101824058-A Naphthoquinone carbohydrate derivative and preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2010-09-08 CN disclosed
EP-2093207-A1 Antiinfective and antitumoral compounds isolated from tropical lianas Julius-Maximilians-Universität Würzburg (DE) 2009-08-26 EP disclosed
WO-2009098082-A2 ANTIINFECTIVE AND ANTITUMORAL COMPOUNDS ISOLATED FROM TROPICAL LIANAS JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2009-08-13 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-20110059911-A1 Antiinfective and Antitumoral Compounds Isolated From Tropical Lianas NCL, SYNCRIP, MYC IDO1 2701/4885MAOA 2075/4885MAOB 2314/4885

“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.