SCHEMBL2099491

SCHEMBL2099491

COc1cccc(NC2CCN(c3cc4ncccc4cc3[O])CC2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
EZH2 Q15910 3/20 0.39
IRAK1 P51617 3/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
SYK P43405 1/20 0.38
EHMT2 Q96KQ7 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PDE10A Q9Y233 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 1/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ROCK2 O75116 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 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
SCHEMBL2089228 0.77 MLNR (0.41) DRD2DRD3
SCHEMBL2090809 0.76 MTOR (0.39) IRAK1IRAK4SYKEHMT2
SCHEMBL2092159 0.73 FPR2 (0.40) IRAK1IRAK4
SCHEMBL5537861 0.73 L3MBTL1 (0.53) EZH2EHMT2KDM4EDRD2ROCK2
SCHEMBL2093724 0.73 KDM4E (0.44) EZH2EHMT2KDM4EHTR7HTR6
SCHEMBL2097229 0.72 RAB9A (0.44) EZH2HCRTR1HCRTR2ROCK2
SCHEMBL2091518 0.72 CXCR4 (0.43) IRAK1IRAK4PDE10A
SCHEMBL5537866 0.69 L3MBTL1 (0.53) KDM4EDRD2ROCK2KMT2A
SCHEMBL2094864 0.67 ROCK2 (0.42) EZH2DRD2ROCK2HPGD
SCHEMBL4117538 0.66 ALDH1A1 (0.60)

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 PDGFRB 2381/4885PDGFRA 2642/4885EZH2 4317/4885

“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.