SCHEMBL4034335

SCHEMBL4034335

CC(C)(C)OC(=O)NCCC1=C(CCNC(=O)OC(C)(C)C)C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.62
IDO1 P14902 4/20 0.49
NQO2 P16083 1/20 0.47
KCNA5 P22460 1/20 0.46
NAMPT P43490 1/20 0.46
PTPRC P08575 2/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
BCHE P06276 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
PDK2 Q15119 1/20 0.44
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 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
SCHEMBL13649372 0.95 MALT1 (0.57) MALT1IDO1NQO2KCNA5NAMPT
SCHEMBL13649376 0.95 MALT1 (0.57) MALT1IDO1NQO2KCNA5CA1
SCHEMBL4122496 0.92 MALT1 (0.57) MALT1IDO1NQO2KCNA5NAMPT
SCHEMBL13649337 0.86 CBR1 (0.50) MALT1IDO1NQO2CA1CA2
SCHEMBL13649371 0.85 MALT1 (0.58) MALT1IDO1KCNA5NAMPTPTPRC
SCHEMBL13814546 0.84 MALT1 (0.55) MALT1IDO1KCNA5CA1CA2
SCHEMBL4116583 0.84 MALT1 (0.49) MALT1IDO1NQO2KCNA5NAMPT
SCHEMBL4105352 0.82 MALT1 (0.62) MALT1IDO1NQO2KCNA5NAMPT
SCHEMBL13649285 0.80 MALT1 (0.53) MALT1IDO1KCNA5NAMPTPTPRC
SCHEMBL4122244 0.79 MALT1 (0.45) MALT1CA2KMT2A

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 4 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
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 MALT1 1105/4885IDO1 1244/4885NQO2 212/4885

“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.