SCHEMBL2094034

SCHEMBL2094034

[CH2]OC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TGM2 P21980 1/20 0.44
ALDH1A1 P00352 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
RORC P51449 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KIF11 P52732 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 2/20 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
SCHEMBL2091165 0.86 EPHX2 (0.63) EPHX2TGM2ALDH1A1RORCNPC1
SCHEMBL2094035 0.84 SMN1; SMN2 (0.56) EPHX2SMN1; SMN2ALDH1A1PDK1PDK2
SCHEMBL2090357 0.82 SMN1; SMN2 (0.45) EPHX2SMN1; SMN2TGM2ALDH1A1PDK1
SCHEMBL2092936 0.81 MAPT (0.48) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL5544650 0.80 EPHX2 (0.50) EPHX2SMN1; SMN2TGM2ALDH1A1PDK1
SCHEMBL2090698 0.80 SMN1; SMN2 (0.43) EPHX2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2096639 0.79 SMN1; SMN2 (0.54) EPHX2SMN1; SMN2PDK1PDK2PDK3
SCHEMBL2096237 0.78 EPHX2 (0.52) EPHX2SMN1; SMN2TGM2PDK1PDK2
SCHEMBL2096233 0.78 EPHX2 (0.52) EPHX2SMN1; SMN2TGM2ALDH1A1PDK1
SCHEMBL2094665 0.77 EPHX2 (0.51) EPHX2ALDH1A1PDK1PDK2PDK3

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 EPHX2 3472/4885SMN1; SMN2 3787/4885TGM2 2418/4885

“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.