SCHEMBL2096718

SCHEMBL2096718

Oc1cc(N2CCC(Oc3cc(Cl)cc(Cl)c3)CC2)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
NCF1 P14598 6/20 0.41
ACLY P53396 1/20 0.41
METAP1 P53582 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM4 P08173 1/20 0.40
HRH1 P35367 2/20 0.40
CCR3 P51677 2/20 0.40
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL2096714 0.86 MAPT (0.42) MAPTNCF1ACLYMETAP1CHRM4
SCHEMBL2089871 0.81 KDM4E (0.41) NCF1METAP1KDM4EL3MBTL1CHRM4
SCHEMBL2094320 0.80 SLC6A2 (0.42) MAPTNCF1KDM4EL3MBTL1
SCHEMBL27666298 0.80 SSTR2 (0.36) MAPTNCF1ACLYMETAP1CHRM4
SCHEMBL2095524 0.80 SCD (0.43) NCF1METAP1KDM4EL3MBTL1CHRM4
SCHEMBL2094763 0.75 TTR (0.48)
SCHEMBL1810410 0.72 EPHX2 (0.48) KDM4EHRH1CCR3
SCHEMBL19554050 0.72 HRH3 (0.43) KDM4EHRH3
SCHEMBL27666019 0.71 CHRM4 (0.50) NCF1KDM4ECHRM4KCNH2
SCHEMBL2088110 0.71 HRH1 (0.37) MAPTACLYHRH1CCR3KCNH2

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 MAPT 4299/4885NCF1 490/4885ACLY 618/4885

“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.