SCHEMBL2089871

SCHEMBL2089871

Oc1cc(N2CCC(Oc3c(F)c(F)c(F)c(F)c3F)CC2)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM4 P08173 1/20 0.41
NCF1 P14598 8/20 0.40
METAP1 P53582 2/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 1/20 0.38
MAPK1 P28482 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL2089868 0.86 CHRM4 (0.41) KDM4EL3MBTL1CHRM4NCF1ADRB2
SCHEMBL2095524 0.85 SCD (0.43) KDM4EL3MBTL1CHRM4NCF1METAP1
SCHEMBL2096718 0.81 MAPT (0.42) KDM4EL3MBTL1CHRM4NCF1METAP1
SCHEMBL2093452 0.79 KDM4E (0.41) KDM4EL3MBTL1NCF1METAP1ADRB2
SCHEMBL2094763 0.78 TTR (0.48)
SCHEMBL2093075 0.74 GRIN2B (0.48) KDM4EL3MBTL1NCF1METAP1MAPK1
SCHEMBL2093214 0.71 NCF1 (0.44) KDM4EL3MBTL1NCF1METAP1MAPK1
SCHEMBL2095518 0.71 SCD (0.43) CHRM4NCF1SCN9A
SCHEMBL2094320 0.69 SLC6A2 (0.42) KDM4EL3MBTL1NCF1MAPK1
SCHEMBL2094075 0.69 SCD (0.36) L3MBTL1CHRM4

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 KDM4E 4578/4885L3MBTL1 2575/4885CHRM4 1284/4885

“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.