SCHEMBL3842971

SCHEMBL3842971

COc1cnc2ccc(=O)n(CC=O)c2n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.38
CYP3A4 P08684 8/20 0.38
ALDH1A1 P00352 7/20 0.38
TSHR P16473 6/20 0.38
HPGD P15428 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CYP2C19 P33261 5/20 0.37
USP2 O75604 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
MAPK1 P28482 2/20 0.36
KCNH2 Q12809 3/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3844363 0.89 KCNH2 (0.43) CYP1A2CYP3A4ALDH1A1TSHRHPGD
SCHEMBL4307787 0.88 PIK3CA (0.40) CYP1A2CYP3A4ALDH1A1TSHRHPGD
SCHEMBL15850811 0.87 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1TSHRHPGD
SCHEMBL12090918 0.82 KDM4E (0.34) CYP1A2CYP3A4ALDH1A1TSHRHPGD
SCHEMBL910325 0.81 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1TSHRPDE10A
SCHEMBL4135677 0.80 MTNR1A (0.40) PDE10AKCNH2
SCHEMBL12065914 0.80 ALDH1A1 (0.44) CYP1A2CYP3A4ALDH1A1TSHRHPGD
SCHEMBL15760084 0.79 ALDH1A1 (0.33) CYP1A2CYP3A4ALDH1A1TSHRHPGD
SCHEMBL15850862 0.77 KCNH2 (0.43) CYP1A2CYP3A4ALDH1A1TSHRHPGD
SCHEMBL4153118 0.77 CYP1A2 (0.44) CYP1A2CYP3A4ALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055266-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2019-02-21 US disclosed
EP-3413976-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS Redx Pharma PLC (GB) 2018-12-19 EP disclosed
WO-2017137744-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
US-9029368-B2 3,7-disubstituted octahydro-2H-pyrido[4,3-E][1,3]oxazin-2-one antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-12 US disclosed
US-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-20140309218-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2014-10-16 US disclosed
EP-2785721-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2014-10-08 EP disclosed
US-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 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 (5 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-20190055266-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS OXA1L, OGFOD1, OCIAD2 CYP1A2 63/4885CYP3A4 7/4885ALDH1A1 1397/4885
US-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE AR, RCC2, NR3C2 CYP1A2 1715/4885CYP3A4 3712/4885ALDH1A1 1227/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ CYP1A2 1854/4885CYP3A4 704/4885ALDH1A1 3885/4885
US-20140309218-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS OXA1L, TOP1, OGFOD1 CYP1A2 268/4885CYP3A4 262/4885ALDH1A1 440/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 CYP1A2 1852/4885CYP3A4 1411/4885ALDH1A1 3789/4885

“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.