SCHEMBL2095407

SCHEMBL2095407

Oc1ccc2cc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
EPHX2 P34913 4/20 0.45
FAAH O00519 2/20 0.45
AADAC P22760 1/20 0.45
ACACB O00763 1/20 0.44
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CHRM4 P08173 1/20 0.41
SCN9A Q15858 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
ESR1 P03372 1/20 0.41
NOTUM Q6P988 1/20 0.40
FPR2 P25090 2/20 0.40
PROKR1 Q8TCW9 2/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL13281330 0.89 KCNH2 (0.53) KCNH2EPHX2FAAHAADACACACB
SCHEMBL57855 0.89 KCNH2 (0.53) KCNH2EPHX2FAAHAADACACACB
SCHEMBL3036120 0.87 KCNH2 (0.52) KCNH2EPHX2FAAHAADACACACB
SCHEMBL2056201 0.85 KCNH2 (0.48) KCNH2EPHX2FAAHACACBPDE3B
SCHEMBL2094000 0.85 KCNH2 (0.46) KCNH2EPHX2FAAHACACBPDE3B
SCHEMBL15441879 0.85 KCNH2 (0.50) KCNH2EPHX2FAAHAADACACACB
SCHEMBL13280047 0.83 MCHR1 (0.43) EPHX2FAAHAADACPDE3BPDE3A
SCHEMBL13279455 0.82 EPHX2 (0.48) KCNH2EPHX2FAAHAADACACACB
SCHEMBL13281650 0.81 CHRM4 (0.52) CHRM4
SCHEMBL2091670 0.81 FFAR4 (0.48) FFAR4

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 KCNH2 3121/4885EPHX2 3472/4885FAAH 3448/4885

“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.