SCHEMBL5541856

SCHEMBL5541856

O=[C]OCc1cc2ccccc2o1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.62
LOXL2 Q9Y4K0 1/20 0.53
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HTR2B P41595 4/20 0.42
HTR1A P08908 3/20 0.42
CYP19A1 P11511 1/20 0.41
CYP2A6 P11509 2/20 0.41
FLT3 P36888 1/20 0.41
SLC6A4 P31645 1/20 0.40
TYR P14679 1/20 0.40
DAO P14920 1/20 0.40
AKR1B1 P15121 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2A P08913 1/20 0.39
DRD2 P14416 2/20 0.39
CA2 P00918 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
SCHEMBL5534528 0.79 AGXT (0.38) AGXTLOXL2
SCHEMBL5547841 0.79 AGXT (0.38) AGXTLOXL2CYP19A1CYP2A6
SCHEMBL5539159 0.79 CYP2A6 (0.45) AGXTCYP19A1CYP2A6POLBSMN1; SMN2
SCHEMBL5540597 0.79 AGXT (0.38) AGXTLOXL2HPGDPOLBSMN1; SMN2
SCHEMBL5539104 0.79 AGXT (0.38) AGXTLOXL2
SCHEMBL5540307 0.79 HDAC3 (0.43) AGXTCA2
SCHEMBL5542824 0.79 AGXT (0.45) AGXTLOXL2ESR1ESR2HTR2B
SCHEMBL1520921 0.77 AGXT (1.00) AGXTLOXL2ESR1ESR2HTR2B
SCHEMBL349601 0.77 LOXL2 (0.58) AGXTLOXL2ESR1ESR2HTR2B
SCHEMBL14145540 0.77 AGXT (0.68) AGXTLOXL2ESR1ESR2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1019378-B1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2004-09-29 EP disclosed
US-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-07-22 US disclosed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 US disclosed
EP-0925063-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2000-12-27 EP disclosed
US-6121282-A 3-(CARBOXY, AMIDO, CYANO, OR HYDROXYAMINOCARBONYL)-6 OR 7-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-09-19 US disclosed
EP-1019378-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
EP-0925063-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-06-30 EP disclosed
WO-1998000137-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed
WO-1998000403-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed
EP-0764163-A1 TACHYKININ (NK 1) RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-03-26 EP disclosed
WO-1995033744-A1 TACHYKININ (NK1) RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-12-14 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 (3 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 AGXT 3781/4885LOXL2 1938/4885ESR1 3763/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 AGXT 2967/4885LOXL2 3768/4885ESR1 1578/4885
US-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension ADORA3, ADORA1, ADORA2A AGXT 2493/4885LOXL2 4336/4885ESR1 4321/4885

“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.