SCHEMBL2092767

SCHEMBL2092767

[O]C(=O)Nc1c(F)cc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
FUCA1 P04066 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ERN1 O75460 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
HTT P42858 3/20 0.36
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL18415476 0.83 CES2 (0.43) CES2CES1FUCA1ALDH1A1KMT2A
SCHEMBL2092769 0.81 RAPGEF4 (0.42) CES2CES1FUCA1ALDH1A1KMT2A
SCHEMBL20560187 0.79 CES2 (0.40) CES2CES1FUCA1ALDH1A1KMT2A
SCHEMBL2566903 0.79 FUCA1 (0.43) CES2CES1FUCA1ALDH1A1KMT2A
SCHEMBL5154372 0.79 ALDH1A1 (0.48) CES2CES1FUCA1ALDH1A1KMT2A
SCHEMBL2095075 0.76 KMT2A (0.57) CES2CES1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL23808900 0.76 ERN1 (0.44) CES2CES1FUCA1ALDH1A1KMT2A
SCHEMBL10627129 0.76 CA2 (0.41) CES2CES1FUCA1ALDH1A1KMT2A
SCHEMBL3954552 0.74 ALDH1A1 (0.49) FUCA1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL9754154 0.74 FUCA1 (0.47) CES2CES1FUCA1ALDH1A1KMT2A

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 7 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 CES2 2243/4885CES1 2325/4885FUCA1 4534/4885

“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.