SCHEMBL2089953

SCHEMBL2089953

[O]CCOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
AOC3 Q16853 1/20 0.45
EPHX2 P34913 3/20 0.44
CHRM5 P08912 4/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
CYP2C9 P11712 1/20 0.41
SCN5A Q14524 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
KCNA5 P22460 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL2093065 0.90 EPHX2 (0.45) MAOBAOC3EPHX2MRGPRX4L3MBTL1
SCHEMBL2090926 0.86 HDAC1 (0.46) MAOBAOC3EPHX2MRGPRX4FFAR1
SCHEMBL2095929 0.83 MAOB (0.47) MAOBAOC3EPHX2MRGPRX4L3MBTL1
SCHEMBL2097583 0.81 CHRM5 (0.47) MAOBCHRM5
SCHEMBL1290720 0.79 TAAR1 (0.54) MAOBAOC3L3MBTL1FFAR1FFAR4
SCHEMBL5247851 0.79 MAOB (0.45) MAOBAOC3EPHX2MRGPRX4L3MBTL1
SCHEMBL2056113 0.79 L3MBTL1 (0.50) MAOBAOC3L3MBTL1CYP2C9HRH2
SCHEMBL2096088 0.79 LTA4H (0.50) MAOBPPARA
SCHEMBL2089956 0.79 ALDH1A1 (0.54) MAOBAOC3EPHX2MRGPRX4L3MBTL1
SCHEMBL13279577 0.79 FFAR4 (0.48) MAOBAOC3EPHX2CHRM5L3MBTL1

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
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 MAOB 1654/4885AOC3 1547/4885EPHX2 3472/4885

“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.