SCHEMBL12834580

SCHEMBL12834580

CC1=C(Cc2ccccc2Br)C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.50
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
APAF1 O14727 1/20 0.46
MITF O75030 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
CDC25A P30304 3/20 0.42
CDC25B P30305 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
SCHEMBL29906342 1.00 TBXAS1 (0.50) TBXAS1AURKAAURKBIDO1TDO2
SCHEMBL29906472 0.86 PTPRC (0.49) TBXAS1AURKAAURKBIDO1TDO2
SCHEMBL26982489 0.86 PTPRC (0.49) TBXAS1AURKAAURKBIDO1TDO2
SCHEMBL29906350 0.83 TBXAS1 (0.53) TBXAS1AURKAAURKBIDO1TDO2
SCHEMBL26982467 0.83 TBXAS1 (0.53) TBXAS1AURKAAURKBIDO1TDO2
SCHEMBL5810540 0.82 TBXAS1 (0.62) TBXAS1AURKAAURKBIDO1TDO2
SCHEMBL1506934 0.81 CDC25A (0.45) TBXAS1AURKAAURKBIDO1TDO2
SCHEMBL12833639 0.78 TBXAS1 (0.59) TBXAS1AURKAAURKBIDO1TDO2
SCHEMBL12833641 0.78 CDC25A (0.51) TBXAS1IDO1MAPTALDH1A1KDM4E
SCHEMBL29906374 0.77 TBXAS1 (0.45) TBXAS1AURKAAURKBIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174589-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS CENTRE NAT RECH SCIENT (FR) 2024-05-30 US disclosed
EP-4301722-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS Centre National de la Recherche Scientifique (FR) 2024-01-10 EP disclosed
EP-4053096-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS Centre national de la recherche scientifique (FR) 2022-09-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 TBXAS1 183/4885AURKA 1458/4885AURKB 740/4885
US-20240174589-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS H1-2, H1-3, H1-0 TBXAS1 417/4885AURKA 4697/4885AURKB 4328/4885

“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.