SCHEMBL5541873

SCHEMBL5541873

O=COCCCC1CCCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
SIGMAR1 Q99720 3/20 0.42
EPHX1 P07099 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.38
NAAA Q02083 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
FKBP1A P62942 2/20 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
SCHEMBL3258085 1.00 CYP1A2 (0.45) CYP1A2SIGMAR1EPHX1SMN1; SMN2HPGD
SCHEMBL5543638 1.00 CYP1A2 (0.45) CYP1A2SIGMAR1EPHX1SMN1; SMN2HPGD
SCHEMBL3025958 0.98 CYP1A2 (0.41) CYP1A2SIGMAR1EPHX1SMN1; SMN2HPGD
SCHEMBL3031792 0.94 EPHX1 (0.47) CYP1A2SIGMAR1EPHX1HPGDNAAA
SCHEMBL5545361 0.94 CYP1A2 (0.37) CYP1A2SIGMAR1EPHX1SMN1; SMN2HPGD
SCHEMBL5547911 0.92 SIGMAR1 (0.48) CYP1A2SIGMAR1EPHX1HPGDNAAA
SCHEMBL5535569 0.92 SIGMAR1 (0.48) CYP1A2SIGMAR1EPHX1HPGDNAAA
SCHEMBL2191205 0.92 EPHX1 (0.45) CYP1A2SIGMAR1EPHX1HPGDNAAA
SCHEMBL5546608 0.89
SCHEMBL5535372 0.88 EPHX1 (0.41) CYP1A2SIGMAR1EPHX1HPGDNAAA

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 CYP1A2 659/4885SIGMAR1 234/4885EPHX1 4071/4885

“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.