SCHEMBL584832

SCHEMBL584832

O=C(O)c1cn(C2CC2)c2c(OCc3ccccc3)c(F)c(F)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.61
TOP2A P11388 6/20 0.58
TOP2B Q02880 6/20 0.58
ALDH1A1 P00352 3/20 0.51
POLB P06746 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KCNH2 Q12809 4/20 0.51
OPRM1 P35372 2/20 0.49
PRKD3 O94806 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
CLK2 P49760 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRD1 P41143 1/20 0.48

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
SCHEMBL583970 0.89 ADRB2 (0.54) GSK3BTOP2ATOP2BALDH1A1POLB
SCHEMBL3131987 0.86 TOP2A (0.58) GSK3BTOP2ATOP2BALDH1A1POLB
SCHEMBL8328397 0.85 TOP2A (0.57) GSK3BTOP2ATOP2BALDH1A1POLB
SCHEMBL9534547 0.83 STAT3 (0.46) GSK3BTOP2ATOP2BALDH1A1POLB
SCHEMBL29393776 0.82 KDM4E (0.65) GSK3BTOP2ATOP2BALDH1A1POLB
SCHEMBL483223 0.82 KDM4E (0.65) GSK3BTOP2ATOP2BALDH1A1POLB
SCHEMBL541514 0.81 KDM4E (0.64) GSK3BTOP2ATOP2BALDH1A1POLB
SCHEMBL541515 0.81 KDM4E (0.64) GSK3BTOP2ATOP2BALDH1A1POLB
SCHEMBL28424222 0.81 KDM4E (0.64) GSK3BTOP2ATOP2BALDH1A1POLB
SCHEMBL3720416 0.80 TOP2A (0.58) GSK3BTOP2ATOP2BALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102217-B1 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-8039466-B2 5-hydroxymethyl-oxazolidin-2-one antibacterials ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-18 US disclosed
EP-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20100222302-A1 Novel Antibacterial Compounds ACTELION PHARMACEUTICALS LTD (CH) 2010-09-02 US disclosed
US-20100069376-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE ANTIBACTERIALS ACTELION PHARMACEUTICALS, LTD. (CH) 2010-03-18 US disclosed
EP-2102217-A2 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS Actelion Pharmaceuticals Ltd. (CH) 2009-09-23 EP disclosed
EP-1931684-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-06-18 EP disclosed
WO-2008062379-A2 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2008-05-29 WO disclosed
WO-2007017828-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-02-15 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 (2 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-20100069376-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE ANTIBACTERIALS OGFOD1, ODC1, OXGR1 GSK3B 3710/4885TOP2A 3924/4885TOP2B 4680/4885
US-20100222302-A1 Novel Antibacterial Compounds ODC1, AOC1, OGFOD1 GSK3B 4330/4885TOP2A 4672/4885TOP2B 4842/4885

“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.