SCHEMBL5747725

SCHEMBL5747725

COc1ccc2ncc(NC(=O)OC(C)(C)C)c(Cl)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.46
LMNA P02545 1/20 0.41
MAP4K4 O95819 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ATR Q13535 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGDS O60760 1/20 0.40
HPGD P15428 2/20 0.39
SRC P12931 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
GLA P06280 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
SCHEMBL27700692 0.91 HPGDS (0.42) MALT1MAP4K4ATRHPGDSSRC
SCHEMBL9384100 0.87 MALT1 (0.43) MALT1MAP4K4ATRMAPK1SRC
SCHEMBL2952668 0.86 LMNA (0.41) MALT1LMNAMAP4K4KDM4EMAPK1
SCHEMBL21561044 0.85 MALT1 (0.57) MALT1MAP4K4ATRMAPK1
SCHEMBL7160706 0.83 MALT1 (0.45) MALT1
SCHEMBL31554483 0.83 MALT1 (0.45) MALT1
SCHEMBL9377882 0.82 MALT1 (0.42) MALT1MAP4K4ATR
SCHEMBL13652319 0.81 CASP2 (0.51) MALT1LMNAKDM4EMEN1MAPT
SCHEMBL14598625 0.76 TDP1 (0.51) LMNAKDM4EATRMEN1MAPT
SCHEMBL6312640 0.75 ALDH1A1 (0.53) MALT1LMNAMAP4K4KDM4EHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009125808-A1 AMINOCYCLOHEXYL DERIVATIVE 第一三共株式会社 (JP) 2009-10-15 WO disclosed
WO-2009125809-A1 PIPERIDINE DERIVATIVES 第一三共株式会社 (JP) 2009-10-15 WO disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG MALT1 3124/4885LMNA 2488/4885MAP4K4 993/4885

“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.