SCHEMBL5536210

SCHEMBL5536210

O=[C]OCCCCc1cc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.46
CYP2A6 P11509 4/20 0.46
ASIC3 Q9UHC3 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
ADRB2 P07550 1/20 0.43
GLS O94925 1/20 0.41
ADRA1D P25100 2/20 0.37
CTRC Q99895 1/20 0.36
IDH1 O75874 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL5541572 0.99 AGXT (0.45) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL5540447 0.99 AGXT (0.45) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL5544455 0.95 AGXT (0.47) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL5544267 0.89 CYP2A6 (0.50) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL5537186 0.80 AGXT (0.62) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL2095290 0.79 AGXT (0.49) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL2089869 0.77 AGXT (0.46) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL16399948 0.76 CYP2A6 (0.56) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL9852785 0.74 CYP2A6 (0.55) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL2096518 0.74 CYP2A6 (0.55) AGXTCYP2A6ASIC3LOXL2ADRB2

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 AGXT 2967/4885CYP2A6 1119/4885ASIC3 211/4885

“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.