SCHEMBL2097312

SCHEMBL2097312

[O]COc1cc(OC(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
GPR3 P46089 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
EPHX2 P34913 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CES1 P23141 1/20 0.33
DAO P14920 1/20 0.33
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
FFAR1 O14842 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
CETP P11597 1/20 0.32
CYP2C9 P11712 1/20 0.31
SCN5A Q14524 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GPR84 Q9NQS5 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2091804 0.84 CETP (0.44) MRGPRX4CHRM2CHRM1CHRM3DAO
SCHEMBL2095929 0.82 MAOB (0.47) ALDH1A1MAPTMRGPRX4EPHX2MAOB
SCHEMBL2097313 0.77 MAPT (0.38) ALDH1A1MAPTGPR3MRGPRX4EPHX2
SCHEMBL2089809 0.77 CHRM2 (0.41) GPR3MRGPRX4EPHX2CHRM2CHRM1
SCHEMBL2090133 0.73 GPR3 (0.39) MAPTGPR3EPHX2CES1FFAR4
SCHEMBL2097369 0.73 SOD1 (0.51) ALDH1A1MAPTKDM4EGPR84
SCHEMBL2091561 0.72 GPR3 (0.41) MAPTGPR3EPHX2CES1CYP2C9
SCHEMBL16959259 0.71 L3MBTL1 (0.44) ALDH1A1MAPTGPR3FFAR4KMT2A
SCHEMBL21432531 0.71 L3MBTL1 (0.44) MRGPRX4CHRM2CHRM1CHRM3KMT2A
SCHEMBL21190211 0.70 TSHR (0.41) ALDH1A1GPR3CHRM2CHRM1CHRM3

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 3 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

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 ALDH1A1 412/4885MAPT 4299/4885GPR3 563/4885

“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.