SCHEMBL5541315

SCHEMBL5541315

O=[C]OCc1csc2ccc(Cl)cc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.58
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
CA2 P00918 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
PKM P14618 1/20 0.41
EPHX1 P07099 1/20 0.41
GAB1 Q13480 1/20 0.40
UTS2R Q9UKP6 3/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
EPHA2 P29317 1/20 0.39
KDR P35968 1/20 0.39
EPHB4 P54760 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
SCHEMBL2095036 0.80 CYP2A6 (0.63) CYP2A6KEAP1NFE2L2CA2SMN1; SMN2
SCHEMBL1520550 0.80 CYP2A6 (0.68) CYP2A6KEAP1NFE2L2CA2SMN1; SMN2
SCHEMBL5539672 0.78 CYP2A6 (0.55) CYP2A6CA2SMN1; SMN2
SCHEMBL2094708 0.77 CYP2A6 (0.69) CYP2A6KEAP1NFE2L2CA2SMN1; SMN2
SCHEMBL156931 0.77 CYP2A6 (0.69) CYP2A6KEAP1NFE2L2CA2SMN1; SMN2
SCHEMBL29679218 0.77 KEAP1 (0.61) CYP2A6KEAP1NFE2L2CA2SMN1; SMN2
SCHEMBL5536093 0.76 MTNR1A (0.38) CYP2A6KEAP1NFE2L2CA2SMN1; SMN2
SCHEMBL6003431 0.76 CYP2A6 (0.58) CYP2A6KEAP1NFE2L2CA2SMN1; SMN2
SCHEMBL4418009 0.75 CYP2A6 (0.71) CYP2A6KEAP1NFE2L2CA2SMN1; SMN2
SCHEMBL5541425 0.74 EGFR (0.34) CYP2A6EGFRERBB2EPHA2KDR

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 1119/4885KEAP1 1764/4885NFE2L2 846/4885

“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.