SCHEMBL5545323

SCHEMBL5545323

O=COC(c1ccc(Cl)cc1)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.43
TDO2 P48775 6/20 0.43
ACP3 P15309 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC22A1 O15245 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL5544365 0.93 ACP3 (0.42) IDO1TDO2ACP3CYP1A2TSHR
SCHEMBL5545086 0.92 ACP3 (0.46) IDO1TDO2ACP3DRD3IDO2
SCHEMBL5537752 0.86 IDO1 (0.58) IDO1TDO2OPRM1SLC6A2SLC6A4
SCHEMBL5546049 0.86 IDO1 (0.50) IDO1TDO2SLC6A3CYP1A2CYP3A4
SCHEMBL5545262 0.81 IDO1 (0.46) IDO1TDO2OPRM1SLC6A2SLC6A4
SCHEMBL5545317 0.77 IDO1 (0.43) IDO1TDO2ACP3OPRM1OPRD1
SCHEMBL5539727 0.76 AOC3 (0.43) ACP3SLC6A4
SCHEMBL5545007 0.74 IDO1 (0.41) IDO1TDO2TSHR
SCHEMBL21778081 0.74 ACP3 (0.41) IDO1TDO2ACP3OPRM1OPRD1
SCHEMBL11152058 0.74 ACP3 (0.41) IDO1TDO2ACP3OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 IDO1 3181/4885TDO2 1351/4885ACP3 792/4885

“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.