SCHEMBL2090419

SCHEMBL2090419

COc1cc(NC([O])=O)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
ATM Q13315 1/20 0.54
POLB P06746 1/20 0.54
GFER P55789 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.51
CISD2 Q8N5K1 1/20 0.49

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
SCHEMBL29663729 0.86 MAPT (0.69) ALDH1A1SMN1; SMN2MAPTATMPOLB
SCHEMBL2089843 0.84 POLB (0.56) ALDH1A1SMN1; SMN2MAPTATMPOLB
SCHEMBL2090421 0.84 ATM (0.58) ALDH1A1SMN1; SMN2MAPTATMPOLB
SCHEMBL6796229 0.84 MAPT (0.62) ALDH1A1SMN1; SMN2MAPTATMPOLB
SCHEMBL7954480 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTATMPOLB
SCHEMBL1233566 0.82 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MAPTATMPOLB
SCHEMBL19454815 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTATMPOLB
SCHEMBL16681578 0.81 ATM (0.68) ALDH1A1SMN1; SMN2MAPTATMPOLB
Hydrochloric Acid SCHEMBL27528526 0.81 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MAPTATMPOLB
SCHEMBL2089842 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTATMPOLB

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 ALDH1A1 412/4885SMN1; SMN2 3787/4885MAPT 4299/4885

“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.