SCHEMBL13649317

SCHEMBL13649317

CC1=C(CCNC(=O)OC(C)(C)C)C(=O)c2c(OC(=O)OCC(Cl)(Cl)Cl)cccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.42
▸ IDO1 P14902 5/20 0.39
▸ MALT1 Q9UDY8 1/20 0.38
▸ NQO2 P16083 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13649320 0.86 TTR (0.44) ELANEIDO1MALT1NQO2POLB
SCHEMBL13649318 0.79 CBR1 (0.47) ELANEIDO1MALT1NQO2POLB
SCHEMBL4122496 0.77 MALT1 (0.57) IDO1MALT1NQO2POLBKDM4E
SCHEMBL13649337 0.72 CBR1 (0.50) ELANEIDO1MALT1NQO2LMNA
SCHEMBL13649316 0.71 ALDH1A1 (0.54) ELANEIDO1POLBKDM4ELMNA
SCHEMBL13814546 0.70 MALT1 (0.55) IDO1MALT1KDM4ELMNAGAA
SCHEMBL4116583 0.70 MALT1 (0.49) IDO1MALT1NQO2POLBEPHX2
SCHEMBL4034335 0.69 MALT1 (0.62) IDO1MALT1NQO2GAA
SCHEMBL4122244 0.66 MALT1 (0.45) MALT1AKT1
SCHEMBL13649295 0.66 MALT1 (0.45) MALT1AKT1

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 2 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

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 ELANE 1875/4885IDO1 1244/4885MALT1 1105/4885

“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.

Send feedback