SCHEMBL3025958

SCHEMBL3025958

O=COCCCC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
SIGMAR1 Q99720 3/20 0.39
EPHX1 P07099 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.36
NAAA Q02083 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
FKBP1A P62942 3/20 0.34

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
SCHEMBL5543638 0.98 CYP1A2 (0.45) CYP1A2SIGMAR1EPHX1SMN1; SMN2HPGD
SCHEMBL5541873 0.98 CYP1A2 (0.45) CYP1A2SIGMAR1EPHX1SMN1; SMN2HPGD
SCHEMBL3258085 0.98 CYP1A2 (0.45) CYP1A2SIGMAR1EPHX1SMN1; SMN2HPGD
SCHEMBL5545361 0.96 CYP1A2 (0.37) CYP1A2SIGMAR1EPHX1SMN1; SMN2HPGD
SCHEMBL2191205 0.94 EPHX1 (0.45) CYP1A2SIGMAR1EPHX1HPGDNAAA
SCHEMBL3031792 0.92 EPHX1 (0.47) CYP1A2SIGMAR1EPHX1HPGDNAAA
SCHEMBL5546608 0.91
SCHEMBL5535569 0.90 SIGMAR1 (0.48) CYP1A2SIGMAR1EPHX1HPGDNAAA
SCHEMBL5547911 0.90 SIGMAR1 (0.48) CYP1A2SIGMAR1EPHX1HPGDNAAA
SCHEMBL5535372 0.89 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 12 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-20120302614-A1 METHOD FOR IMPROVING CEREBRAL CIRCULATION OR TREATING A CEREBRAL BLOOD FLOW DISORDER OSAKA UNIVERSITY (JP) 2012-11-29 US disclosed
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2001002413-A1 BAFIlOMYCIN DERIVATIVES WITH ANTICANCER ACTIVITY INSTITUTO BIOMAR S.A. (ES) 2001-01-11 WO 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 (4 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
US-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA CYP1A2 299/4885SIGMAR1 664/4885EPHX1 1901/4885
US-20120302614-A1 METHOD FOR IMPROVING CEREBRAL CIRCULATION OR TREATING A CEREBRAL BLOOD FLOW DISORDER AGTR2, AGTR1, BDKRB2 CYP1A2 1651/4885SIGMAR1 1441/4885EPHX1 2037/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 CYP1A2 582/4885SIGMAR1 1164/4885EPHX1 1438/4885

“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.