SCHEMBL5547137

SCHEMBL5547137

O=[C]OCc1ccc2sccc2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.54
MRGPRX4 Q96LA9 2/20 0.43
PTPRC P08575 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CA12 O43570 4/20 0.38
CA2 P00918 4/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
FFAR1 O14842 1/20 0.37
DYRK1A Q13627 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL5543512 0.87 MRGPRX4 (0.43) CYP2A6MRGPRX4CA12CA2FFAR1
SCHEMBL3144878 0.77 CYP2A6 (0.59) CYP2A6MRGPRX4PTPRCPTPN6PTPN11
SCHEMBL4057654 0.74 CYP2A6 (0.51) CYP2A6MRGPRX4PTPRCPTPN6PTPN11
SCHEMBL2962869 0.72 CYP2A6 (0.53) CYP2A6MRGPRX4PTPRCPTPN6PTPN11
SCHEMBL271243 0.72 RAB9A (0.50) CYP2A6
SCHEMBL631289 0.72 CYP2A6 (0.61) CYP2A6MRGPRX4PTPRCPTPN6PTPN11
SCHEMBL2091182 0.72 CYP2A6 (0.61) CYP2A6MRGPRX4PTPRCPTPN6PTPN11
SCHEMBL202744 0.71 CYP2A6 (0.66) CYP2A6MRGPRX4PTPRCPTPN6PTPN11
SCHEMBL1863293 0.71 CYP2A6 (0.66) CYP2A6MRGPRX4PTPRCPTPN6PTPN11
SCHEMBL1774025 0.71 CYP2A6 (0.66) CYP2A6PTPRCPTPN6PTPN11PTPN22

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 CYP2A6 1119/4885MRGPRX4 3620/4885PTPRC 2098/4885

“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.