SCHEMBL2094965

SCHEMBL2094965

[CH2]Oc1c(C(C)=O)cc(C(C)=O)cc1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.43
LMNA P02545 1/20 0.41
RAB9A P51151 4/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 2/20 0.34
TSHR P16473 1/20 0.34
AKR1C3 P42330 4/20 0.34
AKR1C2 P52895 4/20 0.34
ALDH1A1 P00352 2/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2094968 0.80 LMNA (0.52) CA5ALMNARAB9AMAPTSMN1; SMN2
SCHEMBL1667196 0.72 CA5A (0.50) CA5ALMNARAB9AMAPTSMN1; SMN2
SCHEMBL28572602 0.72 CA5A (0.50) CA5ALMNARAB9AMAPTSMN1; SMN2
SCHEMBL13932440 0.72 CA5A (0.56) CA5ALMNARAB9AMAPTSMN1; SMN2
SCHEMBL2093678 0.71 CA5A (0.36) CA5ALMNARAB9AMAPTSMN1; SMN2
SCHEMBL27970730 0.70 CA5A (0.48) CA5ALMNARAB9AMAPTSMN1; SMN2
SCHEMBL6513031 0.70 CA5A (0.48) CA5ALMNARAB9AMAPTSMN1; SMN2
SCHEMBL28382276 0.70 CA5A (0.48) CA5ALMNARAB9AMAPTSMN1; SMN2
SCHEMBL669554 0.69 CA5A (0.67) CA5ALMNARAB9AMAPTSMN1; SMN2
SCHEMBL6512882 0.68 CA5A (0.46) CA5ALMNARAB9AMAPTSMN1; SMN2

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 CA5A 2292/4885LMNA 4594/4885RAB9A 3153/4885

“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.