SCHEMBL2796771

SCHEMBL2796771

COc1ccc2ncc(=O)n(CC=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 3/20 0.42
CYP2C19 P33261 3/20 0.42
USP2 O75604 2/20 0.42
CYP2C9 P11712 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL2688666 0.90 KCNH2 (0.48) KCNH2
SCHEMBL3841716 0.88 NPC1 (0.45) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL15850810 0.86 KCNH2 (0.48) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL15595067 0.84 HTR1A (0.50) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL14313796 0.84 TDP1 (0.49) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL13730099 0.84 HTR1A (0.46) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL11999990 0.83 KDM4E (0.45) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL14279801 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL15850815 0.81 KCNH2 (0.42) HTR1ADRD2HTR2AKCNH2ALDH1A1
SCHEMBL3859501 0.81 BRD4 (0.42) ALDH1A1BRD4MTNR1AMTNR1B

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 32 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
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP 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-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
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
WO-2009001126-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBATERIAL AGENTS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP 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 (4 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 HTR1A 3839/4885DRD2 873/4885HTR2A 4495/4885
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 HTR1A 2414/4885DRD2 610/4885HTR2A 2442/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ HTR1A 4404/4885DRD2 2154/4885HTR2A 3614/4885
US-20140309218-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS OXA1L, TOP1, OGFOD1 HTR1A 1629/4885DRD2 1420/4885HTR2A 2749/4885

“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.