SCHEMBL2097260

SCHEMBL2097260

CC(=O)N1CCC(Oc2ccc(OC(F)(F)F)c(OC(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.52
EPHX2 P34913 7/20 0.49
EPHX1 P07099 1/20 0.49
CYP2C9 P11712 2/20 0.47
CYP2J2 P51589 2/20 0.47
IKBKB O14920 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AVPR2 P30518 2/20 0.43
AVPR1A P37288 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CHEK2 O96017 1/20 0.42
CHUK O15111 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42

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
SCHEMBL2097258 0.88 EPHX2 (0.47) OXTREPHX2CYP2C9CYP2J2
SCHEMBL2089684 0.85 EPHX2 (0.60) EPHX2EPHX1CYP4F2CYP4A11
SCHEMBL2092945 0.78 LIPE (0.61) EPHX2CYP4F2CYP4A11CHEK2
SCHEMBL12311796 0.77 POLB (0.52) OXTRIKBKBHRH3CYP4F2CYP4A11
SCHEMBL12311795 0.77 OXTR (0.50) OXTRIKBKBHRH3CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL9014042 0.77 IKBKB (0.49) OXTRIKBKBHRH3CYP4F2CYP4A11
SCHEMBL13362079 0.76 OXTR (0.49) OXTRIKBKBHRH3CYP4F2CYP4A11
SCHEMBL2094409 0.76 HRH3 (0.49) IKBKBHRH3CYP4F2CYP4A11ALDH1A1
SCHEMBL8665462 0.75 OXTR (0.55) OXTRIKBKBHRH3CYP4F2CYP4A11
SCHEMBL9014067 0.75 ACACB (0.51) OXTRIKBKBHRH3CYP4F2CYP4A11

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 OXTR 411/4885EPHX2 3472/4885EPHX1 4212/4885

“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.