SCHEMBL5537752

SCHEMBL5537752

O=COC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.58
TDO2 P48775 5/20 0.58
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
DRD3 P35462 2/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC22A1 O15245 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45

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
SCHEMBL5546049 0.92 IDO1 (0.50) IDO1TDO2CYP3A4CYP1A2CYP2D6
SCHEMBL858 0.88 CYP2D6 (0.42) IDO1TDO2CYP1A2CYP2D6TSHR
SCHEMBL5545323 0.86 IDO1 (0.43) IDO1TDO2CYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL10708013 0.86 HTT (0.44) IDO1TDO2CYP1A2CYP2D6TSHR
SCHEMBL5545086 0.84 ACP3 (0.46) IDO1TDO2DRD3MEN1KMT2A
SCHEMBL5536665 0.81 IDO1 (0.45) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL5545262 0.80 IDO1 (0.46) IDO1TDO2CHRM1SLC6A2SLC6A4
SCHEMBL5544365 0.77 ACP3 (0.42) IDO1TDO2CYP1A2TSHRMEN1
SCHEMBL468391 0.77 HTT (0.35) IDO1TDO2CYP1A2CYP2D6TSHR
SCHEMBL11352221 0.77 UGT2B7 (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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 4 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
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 1351/4885CYP3A4 1683/4885

“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.