SCHEMBL2093136

SCHEMBL2093136

[O]c1cc(N2CCC(Oc3ccc(OC(F)(F)C(F)(F)F)cc3)CC2)cc2scnc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.39
KCNH2 Q12809 1/20 0.38
FFAR1 O14842 11/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SCN9A Q15858 2/20 0.34
FPR2 P25090 2/20 0.34
PROKR1 Q8TCW9 2/20 0.34
ACACB O00763 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
SCHEMBL2090153 0.82 ACACB (0.37) FFAR1ACACB
SCHEMBL5015139 0.82 PPARD (0.43) SCN9A
SCHEMBL2090870 0.80 PDE3B (0.46) FFAR1PDE3BPDE3AFPR2PROKR1
SCHEMBL2096823 0.73 SCD (0.39) SCN9A
SCHEMBL2089533 0.73 CHRM4 (0.43) MMP13KCNH2FFAR1PDE3BPDE3A
SCHEMBL2093719 0.72 LIPG (0.36) KCNH2FFAR1PDE3BPDE3ASCN9A
SCHEMBL2093005 0.72 PDE3B (0.43) MMP13KCNH2FFAR1PDE3BPDE3A
SCHEMBL5542924 0.71 MMP13 (0.43) MMP13KCNH2FFAR1PDE3BPDE3A
SCHEMBL2090155 0.71 ACACB (0.37) ACACB
SCHEMBL2098158 0.70 TP53 (0.38) MMP13FFAR1SLC6A2SLC6A4SCN9A

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 MMP13 4600/4885KCNH2 3121/4885FFAR1 58/4885

“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.