SCHEMBL2089237

SCHEMBL2089237

[O]C(=O)Nc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
TSHR P16473 4/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
CA1 P00915 9/20 0.37
CA2 P00918 9/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 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
SCHEMBL21810569 0.79 GAA (0.55) GAATSHRMAPK1NPC1SMN1; SMN2
SCHEMBL2089240 0.77 GAA (0.46) GAATSHRMAPK1NPC1SMN1; SMN2
SCHEMBL1726079 0.74 GAA (0.45) GAATSHRMAPK1NPC1SMN1; SMN2
SCHEMBL3072029 0.74 GAA (0.61) GAATSHRMAPK1NPC1SMN1; SMN2
SCHEMBL20560307 0.74 GAA (0.45) GAATSHRMAPK1NPC1SMN1; SMN2
SCHEMBL4610474 0.74 GAA (0.45) GAATSHRMAPK1NPC1SMN1; SMN2
SCHEMBL23883156 0.72 GAA (0.43) GAATSHRMAPK1NPC1SMN1; SMN2
SCHEMBL3065355 0.72 GAA (0.48) GAATSHRMAPK1NPC1SMN1; SMN2
SCHEMBL21568089 0.72 HTT (0.56) GAATSHRMAPK1MEN1KMT2A
SCHEMBL14716260 0.69 TSHR (0.56) TSHRNPC1MEN1KMT2AHTT

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 GAA 3982/4885TSHR 162/4885MAPK1 2105/4885

“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.