SCHEMBL2091969

SCHEMBL2091969

CCc1ccccc1OC(F)(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AR P10275 1/20 0.41
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A3 Q01959 4/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
DRD2 P14416 3/20 0.36
HSD11B1 P28845 1/20 0.36
PDK2 Q15119 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL1046654 0.84 MAPT (0.48) L3MBTL1MAPTNPSR1ARHPGD
SCHEMBL3150553 0.81 SLC6A3 (0.34) SLC6A3SLC6A2SLC6A4DRD2TSHR
SCHEMBL2094153 0.81 IDO1 (0.34) MAPTSLC6A3SLC6A2SLC6A4DRD2
SCHEMBL2091966 0.81 IDO1 (0.35) SLC6A3SLC6A2SLC6A4DRD2
SCHEMBL2088941 0.81 SLC6A3 (0.34) SLC6A3SLC6A2SLC6A4DRD2
SCHEMBL2094155 0.81 PNMT (0.38) SLC6A3SLC6A2SLC6A4KDM4EDRD2
SCHEMBL28962626 0.79 L3MBTL1 (0.52) L3MBTL1MAPTNPSR1ARHPGD
SCHEMBL5545714 0.79 GRIN1 (0.33) HPGDSLC6A3SLC6A2SLC6A4
SCHEMBL10600724 0.79 CA12 (0.35) SLC6A3SLC6A2SLC6A4PDK2TSHR
SCHEMBL2093698 0.78 TAAR1 (0.55) SLC6A3DRD2

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 L3MBTL1 2575/4885MAPT 4299/4885NPSR1 202/4885

“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.