SCHEMBL4122496

SCHEMBL4122496

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.57
IDO1 P14902 4/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
APAF1 O14727 1/20 0.45
MITF O75030 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NQO2 P16083 1/20 0.44
KCNA5 P22460 1/20 0.43
NAMPT P43490 1/20 0.43
PTPRC P08575 2/20 0.43
AKT1 P31749 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
NPC1 O15118 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
SCHEMBL13814546 0.92 MALT1 (0.55) MALT1IDO1KDM4EALDH1A1LMNA
SCHEMBL4034335 0.92 MALT1 (0.62) MALT1IDO1NQO2KCNA5NAMPT
SCHEMBL4116583 0.92 MALT1 (0.49) MALT1IDO1KDM4EALDH1A1LMNA
SCHEMBL13649295 0.87 MALT1 (0.45) MALT1AKT1CA2
SCHEMBL4122244 0.87 MALT1 (0.45) MALT1AKT1CA2
SCHEMBL13649372 0.87 MALT1 (0.57) MALT1IDO1L3MBTL1NQO2KCNA5
SCHEMBL13649376 0.87 MALT1 (0.57) MALT1IDO1TDP1NQO2KCNA5
SCHEMBL13649285 0.86 MALT1 (0.53) MALT1IDO1KDM4EALDH1A1LMNA
SCHEMBL13649318 0.86 CBR1 (0.47) MALT1IDO1KDM4EALDH1A1LMNA
SCHEMBL4110696 0.85 CA2 (0.58) MALT1ALDH1A1SMN1; SMN2CA1CA2

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 1105/4885IDO1 1244/4885KDM4E 2851/4885

“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.