SCHEMBL2091007

SCHEMBL2091007

O=[C]C/C=C/c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 1/20 0.48
CYP2D6 P10635 1/20 0.43
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HDAC1 Q13547 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
EPHX2 P34913 1/20 0.38
KIF11 P52732 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
MAOB P27338 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
SCHEMBL2091009 1.00 GRIK1 (0.48) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL2090543 0.83 GRIK1 (0.34) GRIK1GRIK2PIM1PIM2KIF11
SCHEMBL2091108 0.81 PIM1 (0.44) PIM1PIM2MAOB
SCHEMBL2091112 0.81 PIM1 (0.44) PIM1PIM2MAOB
SCHEMBL2092948 0.81 GRIK1 (0.51) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL2092951 0.81 GRIK1 (0.51) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL5536474 0.81 GRIK1 (0.46) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL5536477 0.81 GRIK1 (0.46) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL20115918 0.80 GRIK1 (0.42) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL2097572 0.79 GRIK1 (0.50) GRIK1GRIK2CYP2D6PIM1PIM2

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 GRIK1 463/4885GRIK2 258/4885CYP2D6 743/4885

“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.