SCHEMBL2095445

SCHEMBL2095445

[O]c1cnc2ccccc2c1N1CCC(Nc2ccc(C(F)(F)C(F)(F)F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 3/20 0.39
GRM5 P41594 3/20 0.38
PAK1 Q13153 3/20 0.36
BCHE P06276 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
ABL1 P00519 1/20 0.34
CYP8B1 Q9UNU6 1/20 0.34

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
SCHEMBL27644458 0.78 DRD2 (0.35) PAK1TRPV1DRD2DRD3TLR7
SCHEMBL2092239 0.77 GRM5 (0.48) SSTR2GRM5BCHE
SCHEMBL2091041 0.75 GRM5 (0.43) SSTR2GRM5BCHE
SCHEMBL2097851 0.73 SSTR2 (0.41) SSTR2GRM5PAK1BCHE
SCHEMBL5543622 0.72 HDAC1 (0.41) PAK1DRD2DRD3
SCHEMBL27644956 0.72 NPC1 (0.50)
SCHEMBL5543629 0.67 ME3 (0.41)
SCHEMBL2095123 0.67 PCSK9 (0.42)
SCHEMBL2093398 0.66 GRM5 (0.50) SSTR2GRM5TRPV1
SCHEMBL2094890 0.66 TRPV1 (0.46) PAK1TRPV1

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 SSTR2 665/4885GRM5 511/4885PAK1 2987/4885

“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.