SCHEMBL2095863

SCHEMBL2095863

[O]c1ccc(N2CCC(Cc3ccccc3OC(F)(F)F)CC2)c2ncsc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.38
DCPS Q96C86 1/20 0.37
AKT2 P31751 1/20 0.36
CYP2C9 P11712 3/20 0.35
CYP2J2 P51589 3/20 0.35
CHRM4 P08173 3/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE10A Q9Y233 1/20 0.35
C5AR1 P21730 2/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
TRPC5 Q9UL62 1/20 0.33

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
SCHEMBL5016085 0.85 EPHX2 (0.44) EPHX2DCPSTRPC5
SCHEMBL27645101 0.83 DCPS (0.41) EPHX2DCPSAKT2CYP2C9CYP2J2
SCHEMBL2094217 0.83 PDE3B (0.44) EPHX2CYP2C9CYP2J2PDE3BPDE3A
SCHEMBL2090842 0.78 EPHX2 (0.34) EPHX2DCPSCYP2C9CYP2J2NPC1
SCHEMBL2096558 0.76 KCNN4 (0.41)
SCHEMBL27644867 0.73 ADRB2 (0.46) EPHX2DCPSAKT2CYP2C9CYP2J2
SCHEMBL2097959 0.72 NPC1 (0.41) EPHX2DCPSCYP2C9CYP2J2CHRM4
SCHEMBL2095145 0.69 TP53 (0.46) EPHX2CYP2C9
SCHEMBL27665965 0.68 HTR1A (0.40) C5AR1
SCHEMBL27644679 0.67 DRD2 (0.47) EPHX2DCPSTRPC5

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 EPHX2 3472/4885DCPS 3420/4885AKT2 1916/4885

“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.