SCHEMBL2096496

SCHEMBL2096496

[O]c1nc2c(N3CCC(CCCCCCc4ccc(OC(F)(F)F)cc4)CC3)cccc2s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 11/20 0.36
GRM2 Q14416 2/20 0.36
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CHRM2 P08172 2/20 0.34
EPHX2 P34913 1/20 0.34
CHRM3 P20309 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL2097327 1.00 CHRM4 (0.36) CHRM4GRM2ADRA1AHRH1ADRA1B
SCHEMBL2095271 0.99 CHRM4 (0.37) CHRM4GRM2ADRA1AHRH1ADRA1B
SCHEMBL2097825 0.96 GRM2 (0.36) CHRM4GRM2CHRM2EPHX2CHRM3
SCHEMBL2094923 0.93 GRM2 (0.37) CHRM4GRM2CHRM2EPHX2
SCHEMBL5013338 0.86 HRH1 (0.48) GRM2ADRA1AHRH1ADRA1BKCNH2
SCHEMBL5011646 0.86 HRH1 (0.48) GRM2ADRA1AHRH1ADRA1BKCNH2
SCHEMBL5012719 0.85 HRH1 (0.49) GRM2ADRA1AHRH1ADRA1BKCNH2
SCHEMBL5016310 0.84 HRH3 (0.48) GRM2ADRA1AHRH1ADRA1BKCNH2
SCHEMBL5011767 0.82 HRH3 (0.45) ADRA1AHRH1ADRA1BKCNH2HRH3
SCHEMBL2095907 0.80 MAOB (0.44) CHRM4HRH3CHRM2

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 CHRM4 1284/4885GRM2 146/4885ADRA1A 474/4885

“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.