SCHEMBL584841

SCHEMBL584841

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.68
TOP2B Q02880 7/20 0.68
ALDH1A1 P00352 5/20 0.55
POLB P06746 2/20 0.55
OPRM1 P35372 2/20 0.55
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
OPRD1 P41143 1/20 0.55
KCNH2 Q12809 5/20 0.53
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL30320686 1.00 TOP2A (0.68) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL500719 0.90 TOP2A (0.71) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL29463823 0.90 TOP2A (0.71) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL14209463 0.89 TOP2A (0.55) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10511131 0.88 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
Potassium SCHEMBL10510827 0.88 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10511115 0.88 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10510815 0.88 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL500386 0.86 ALDH1A1 (0.66) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL8324772 0.86 TOP2A (0.64) TOP2ATOP2BALDH1A1POLBOPRM1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN claimed
CN-111514125-B Composition containing quinolone compound and edetic acid compound 中山万汉制药有限公司 2021-03-23 CN claimed
CN-111514125-A Composition containing quinolone compound and edetic acid compound 中山万汉制药有限公司 2020-08-11 CN claimed
CN-111150734-A Compositions containing mixtures of quinolinone derivatives and uses thereof 黄泳华 2020-05-15 CN claimed
WO-2006004561-A1 PROCESS FOR THE PREPARATION OF GATIFLOXACIN AND REGENERATION OF DEGRADATION PRODUCTS KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2006-01-12 WO claimed
WO-2024104344-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE AND USE THEREOF 沈阳中化农药化工研发有限公司 2024-05-23 WO disclosed
CN-118047721-A Quinoline carboxylic acid derivative and application thereof 沈阳中化农药化工研发有限公司 2024-05-17 CN disclosed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN disclosed
CN-111514125-B Composition containing quinolone compound and edetic acid compound 中山万汉制药有限公司 2021-03-23 CN disclosed
CN-111514125-A Composition containing quinolone compound and edetic acid compound 中山万汉制药有限公司 2020-08-11 CN disclosed
CN-111150734-A Compositions containing mixtures of quinolinone derivatives and uses thereof 黄泳华 2020-05-15 CN disclosed
EP-2102217-B1 4- (2-OXO-OXAZOLIDIN-3YL)-PHENOXYMETHYLE DERIVATIVEAS AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US 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
US-20070219231-A1 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof XINCHANG PHARMACEUTICAL FACTORY, ZHEJIANG MEDICINE CO. LTD. (CN) 2007-09-20 US disclosed
EP-1767536-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEREOF PREPARATION AND USAGE Institute of Medicinal Biotechnology, Chinese Acadamy of Medical Sciences (CN) 2007-03-28 EP disclosed
WO-2007017828-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-02-15 WO disclosed
WO-2006004561-A1 PROCESS FOR THE PREPARATION OF GATIFLOXACIN AND REGENERATION OF DEGRADATION PRODUCTS KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2006-01-12 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-20070219231-A1 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof NQO2, ABCG2, DHX15 TOP2A 256/4885TOP2B 471/4885ALDH1A1 1904/4885
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 TOP2A 389/4885TOP2B 359/4885ALDH1A1 1307/4885

“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.