SCHEMBL2090340

SCHEMBL2090340

[CH]Cc1ccccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.43
GRIN1 Q05586 1/20 0.43
SLC6A3 Q01959 7/20 0.42
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 6/20 0.42
DRD2 P14416 4/20 0.42
KCNH2 Q12809 4/20 0.42
CYP2D6 P10635 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TACR1 P25103 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
KCNN3 Q9UGI6 1/20 0.37
HCRTR1 O43613 1/20 0.37

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
SCHEMBL2094830 0.84 SLC6A3 (0.47) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL2091966 0.84 IDO1 (0.35) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL1046654 0.79 MAPT (0.48) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL3151346 0.79 GRIN2B (0.44) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL40091 0.79 GRIN2B (0.47) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL24459266 0.79 GRIN2B (0.43) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL5535428 0.79 GRIN2B (0.43) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL2092982 0.79 GRIN2B (0.43) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL1047235 0.79 HDAC3 (0.44) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL5196714 0.79 GRIN2B (0.43) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4

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 GRIN2B 269/4885GRIN1 344/4885SLC6A3 3737/4885

“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.