Plumbagin

Plumbagin

SCHEMBL3427829

CC1=CC(=O)c2c(O)cccc2C1=O.O=C1C=CC(=O)c2ccccc21

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.84
ALDH1A1 P00352 7/20 0.84
MAPK1 P28482 6/20 0.84
KMT2A Q03164 6/20 0.84
KDM4E B2RXH2 6/20 0.84
RECQL P46063 6/20 0.84
MEN1 O00255 5/20 0.84
BLM P54132 4/20 0.84
HPGD P15428 4/20 0.84
CYP3A4 P08684 4/20 0.84
CDC25B P30305 4/20 0.84
TDP1 Q9NUW8 4/20 0.84
TP53 P04637 3/20 0.84
ALOX15 P16050 3/20 0.84
HSD17B10 Q99714 3/20 0.84
SMN1; SMN2 Q16637 3/20 0.84
TRPA1 O75762 2/20 0.84
CASP1 P29466 2/20 0.84
CASP7 P55210 2/20 0.84
CYP1A2 P05177 2/20 0.84

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
Plumbagin SCHEMBL14246176 0.94 MAPT (0.84) MAPTALDH1A1MAPK1KMT2AKDM4E
Plumbagin SCHEMBL29386213 0.92 MAPT (1.00) MAPTALDH1A1MAPK1KMT2AKDM4E
Plumbagin SCHEMBL34186 0.92 MAPT (1.00) MAPTALDH1A1MAPK1KMT2AKDM4E
Plumbagin SCHEMBL27811730 0.90 MAPT (0.96) MAPTALDH1A1MAPK1KMT2AKDM4E
Plumbagin SCHEMBL2720467 0.86 MAPT (0.87) MAPTALDH1A1MAPK1KMT2AKDM4E
Plumbagin SCHEMBL28589491 0.86 MAPT (0.87) MAPTALDH1A1MAPK1KMT2AKDM4E
Plumbagin SCHEMBL28261630 0.85 MAPT (0.79) MAPTALDH1A1MAPK1KMT2AKDM4E
Plumbagin SCHEMBL28261690 0.81 MAPT (0.73) MAPTALDH1A1MAPK1KMT2AKDM4E
Plumbagin SCHEMBL28434705 0.81 MAPT (0.77) MAPTALDH1A1MAPK1KMT2AKDM4E
Plumbagin SCHEMBL28260352 0.80 MAPT (0.71) MAPTALDH1A1MAPK1KMT2AKDM4E

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 8 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-20140343165-A1 PLANT PROTECTION AGENT TECHNISCHE UNIVERSITAET WIEN (AT) 2014-11-20 US disclosed
US-8877718-B2 Antiinfective and antitumoral compounds isolated from tropical lianas JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2014-11-04 US disclosed
US-20120322889-A1 PLANT PROTECTION AGENT TECHNISCHE UNIVERSITAET WIEN (AT) 2012-12-20 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
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 (3 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-20120322889-A1 PLANT PROTECTION AGENT BROX, H1-0, RRS1 MAPT 3266/4885ALDH1A1 1726/4885MAPK1 1842/4885
US-20110059911-A1 Antiinfective and Antitumoral Compounds Isolated From Tropical Lianas NCL, SYNCRIP, MYC MAPT 4212/4885ALDH1A1 714/4885MAPK1 3499/4885
US-20140343165-A1 PLANT PROTECTION AGENT BROX, BOLA2; BOLA2B, RRS1 MAPT 4151/4885ALDH1A1 4656/4885MAPK1 1617/4885

“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.