SCHEMBL5541990

SCHEMBL5541990

[CH2]c1cccc2c1C=CCO2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 2/20 0.46
CYP1A2 P05177 7/20 0.37
CYP1A1 P04798 6/20 0.37
CYP1B1 Q16678 6/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 1/20 0.35
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL5541390 0.76 CYP2B6 (0.42) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL2008458 0.76 CYP2B6 (0.42) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL275271 0.76 CYP2B6 (0.46) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL8215841 0.76 CYP1A2 (0.46) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL14653042 0.76 CYP2B6 (0.42) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
Hydrochloric Acid SCHEMBL29164105 0.74 CYP2B6 (0.41) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL13113614 0.73 CYP2B6 (0.43) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL30291346 0.73 CYP2B6 (0.43) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL27518049 0.73 MTNR1A (0.42) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL7667186 0.72 MTNR1A (0.39) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A

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 CYP2B6 758/4885CYP1A2 659/4885CYP1A1 1394/4885

“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.