SCHEMBL4116583

SCHEMBL4116583

CC1=C(CCNC(=O)CNC(=O)OC(C)(C)C)C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.49
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTPRC P08575 2/20 0.41
IDO1 P14902 3/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APAF1 O14727 1/20 0.40
MITF O75030 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KCNA5 P22460 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4122496 0.92 MALT1 (0.57) MALT1HDAC2HDAC6PTPRCIDO1
SCHEMBL4110401 0.88 MALT1 (0.48) MALT1HDAC2HDAC6PTPRCKDM4E
SCHEMBL13814546 0.84 MALT1 (0.55) MALT1HDAC2HDAC6IDO1KDM4E
SCHEMBL4034335 0.84 MALT1 (0.62) MALT1PTPRCIDO1CA1CA2
SCHEMBL13649295 0.82 MALT1 (0.45) MALT1CA2KMT2AAKT1
SCHEMBL4122244 0.82 MALT1 (0.45) MALT1CA2KMT2AAKT1
SCHEMBL13649285 0.81 MALT1 (0.53) MALT1HDAC2HDAC6PTPRCIDO1
SCHEMBL13649297 0.80 CA2 (0.58) MALT1ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL4110696 0.80 CA2 (0.58) MALT1ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL13649372 0.79 MALT1 (0.57) MALT1PTPRCIDO1L3MBTL1CA1

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
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
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 1105/4885HDAC2 1445/4885HDAC6 986/4885

“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.