SCHEMBL2094093

SCHEMBL2094093

CN(C(=O)O)c1c(F)cc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
HTT P42858 1/20 0.38
RIPK1 Q13546 8/20 0.38
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL2094092 0.83 ERN1 (0.41) ERN1CES2CES1HTTRIPK1
SCHEMBL2095529 0.78 CES2 (0.43) CES2CES1ALDH1A1KMT2AKDM4E
SCHEMBL2092299 0.76 CES2 (0.41) ERN1CES2CES1HTTHCAR1
SCHEMBL2096358 0.74 HTT (0.46) CES2CES1HTTRIPK1ALDH1A1
SCHEMBL15524954 0.72 ATM (0.37) ERN1HTTRIPK1ALDH1A1KMT2A
SCHEMBL2089048 0.72 RIPK1 (0.35) ERN1CES2CES1HTTRIPK1
SCHEMBL7697369 0.71 ALDH1A1 (0.37) ERN1CES2CES1HTTRIPK1
SCHEMBL2096953 0.70 CES2 (0.43) CES2CES1RIPK1ALDH1A1KDM4E
SCHEMBL29475691 0.68 CES2 (0.42) ERN1CES2CES1HTTRIPK1
SCHEMBL2090244 0.68 NPSR1 (0.47) ERN1HTTALDH1A1KMT2A

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 ERN1 2217/4885CES2 2243/4885CES1 2325/4885

“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.