SCHEMBL1506934

SCHEMBL1506934

COc1ccc(CC2=C(C)C(=O)c3ccccc3C2=O)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
MAPT P10636 7/20 0.43
TDP1 Q9NUW8 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
HPGD P15428 3/20 0.43
CCR6 P51684 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 3/20 0.43
TBXAS1 P24557 1/20 0.43
CYP19A1 P11511 2/20 0.42
AURKA O14965 1/20 0.41

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
SCHEMBL12833653 0.86 MAPT (0.48) CDC25ACDC25BMAPTTDP1KDM4E
SCHEMBL12834582 0.84 CDC25A (0.45) CDC25ACDC25BIDO1MAPTTDP1
SCHEMBL12834580 0.81 TBXAS1 (0.50) CDC25ACDC25BIDO1TDO2MAPT
SCHEMBL29906342 0.81 TBXAS1 (0.50) CDC25ACDC25BIDO1TDO2MAPT
SCHEMBL12833654 0.79 MAPT (0.65) CDC25ACDC25BMAPTTDP1KDM4E
SCHEMBL1506990 0.78 TBXAS1 (0.55) CDC25ACDC25BMAPTTDP1KDM4E
SCHEMBL29906472 0.77 PTPRC (0.49) CDC25ACDC25BIDO1TDO2MAPT
SCHEMBL12833655 0.77 TBXAS1 (0.54) CDC25ACDC25BMAPTTDP1KDM4E
SCHEMBL26982489 0.77 PTPRC (0.49) CDC25ACDC25BIDO1TDO2MAPT
SCHEMBL12965770 0.76 CYP19A1 (0.45) IDO1MEN1KMT2ACYP19A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257515-B1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NAT RECH SCIENT (FR) 2017-05-17 EP disclosed
US-9090549-B2 1,4-naphthoquinones derivatives and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-07-28 US disclosed
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-10 US disclosed
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-10 US disclosed
EP-2257515-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF Centre National de la Recherche Scientifique (FR) 2010-12-08 EP disclosed
WO-2009118327-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-10-01 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-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF NQO1, NDUFV2, RECQL CDC25A 540/4885CDC25B 576/4885IDO1 3244/4885

“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.