SCHEMBL2097313

SCHEMBL2097313

OCOc1cc(OC(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
GPR3 P46089 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
FFAR4 Q5NUL3 4/20 0.35
FFAR1 O14842 2/20 0.35
EPHX2 P34913 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C9 P11712 1/20 0.34
SCN5A Q14524 1/20 0.34
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
METAP2 P50579 1/20 0.32

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
SCHEMBL2091806 0.84 CETP (0.44) MAOBMRGPRX4FFAR1
SCHEMBL2095932 0.82 MAOB (0.51) MAPTALDH1A1MAOBAOC3MRGPRX4
SCHEMBL14944760 0.80 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL2097312 0.77 ALDH1A1 (0.38) MAPTALDH1A1MAOBAOC3GPR3
SCHEMBL2089811 0.77 FFAR4 (0.44) MAPTGPR3MRGPRX4FFAR4EPHX2
SCHEMBL16492992 0.75 FFAR4 (0.38) ALDH1A1FFAR4FFAR1CYP2C9SCN5A
SCHEMBL16952868 0.75 L3MBTL1 (0.44) ALDH1A1MRGPRX4FFAR4L3MBTL1CYP2C9
SCHEMBL27377083 0.75 FFAR4 (0.43) ALDH1A1MRGPRX4FFAR4FFAR1CYP2C9
SCHEMBL816836 0.73 AURKA (0.44) MAPTGPR3MRGPRX4EPHX2L3MBTL1
SCHEMBL16960683 0.73 FFAR4 (0.39) MRGPRX4FFAR4FFAR1L3MBTL1CYP2C9

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 MAPT 4299/4885ALDH1A1 412/4885MAOB 1654/4885

“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.