SCHEMBL2090776

SCHEMBL2090776

[CH2]c1ccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
EPHX2 P34913 3/20 0.43
FPR2 P25090 2/20 0.43
PROKR1 Q8TCW9 2/20 0.43
FAAH O00519 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
FFAR4 Q5NUL3 2/20 0.42
CHRM4 P08173 3/20 0.42
MMP13 P45452 2/20 0.42
MMP2 P08253 1/20 0.42
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
FFAR1 O14842 3/20 0.41
ACACB O00763 1/20 0.41
KCNA5 P22460 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
SCHEMBL2091975 0.86 TEAD1 (0.47) KCNH2EPHX2FPR2PROKR1MMP13
SCHEMBL57855 0.86 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4EPHX2
SCHEMBL2056202 0.86 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4EPHX2
SCHEMBL13281330 0.86 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4EPHX2
SCHEMBL2089118 0.86 KCNH2 (0.42) KCNH2PTGS1SLC6A2SLC6A4EPHX2
SCHEMBL3036120 0.85 KCNH2 (0.52) KCNH2PTGS1SLC6A2SLC6A4EPHX2
Lithium Ion SCHEMBL3036118 0.85 KCNH2 (0.52) KCNH2PTGS1SLC6A2SLC6A4EPHX2
SCHEMBL2095970 0.84 KCNH2 (0.51) KCNH2PTGS1SLC6A2SLC6A4EPHX2
SCHEMBL2056141 0.84 KCNH2 (0.56) KCNH2PTGS1SLC6A2SLC6A4FPR2
SCHEMBL15441879 0.83 KCNH2 (0.50) KCNH2PTGS1SLC6A2SLC6A4EPHX2

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 3121/4885PTGS1 2872/4885SLC6A2 3591/4885

“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.