SCHEMBL2096486

SCHEMBL2096486

COc1cccc(OC[O])c1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
NFE2L2 Q16236 3/20 0.45
MAPK1 P28482 1/20 0.44
ABCB1 P08183 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA4 P22748 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
PRMT1 Q99873 1/20 0.41

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
SCHEMBL2087969 0.87 SMN1; SMN2 (0.65) SMN1; SMN2NFE2L2MAPK1ALDH1A1CA12
SCHEMBL902827 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NFE2L2MAPK1ABCB1ALDH1A1
SCHEMBL25434306 0.82 CA1 (0.61) SMN1; SMN2NFE2L2MAPK1ALDH1A1CA12
SCHEMBL151213 0.82 CA1 (0.61) SMN1; SMN2NFE2L2MAPK1ALDH1A1CA12
SCHEMBL27753904 0.82 CA1 (0.61) SMN1; SMN2NFE2L2MAPK1ALDH1A1CA12
SCHEMBL12129060 0.81 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1ABCB1ALDH1A1CA12
SCHEMBL2092104 0.80 CA12 (0.62) SMN1; SMN2MAPK1ALDH1A1CA12CA1
Propane SCHEMBL27582651 0.80 SMN1; SMN2 (0.60) SMN1; SMN2NFE2L2MAPK1ABCB1ALDH1A1
Formaldehyde SCHEMBL28092618 0.80 SMN1; SMN2 (0.54) SMN1; SMN2NFE2L2MAPK1ALDH1A1CA12
Ammonia Solution, Strong SCHEMBL4268652 0.79 SMN1; SMN2 (0.58) SMN1; SMN2NFE2L2MAPK1ALDH1A1CA12

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 SMN1; SMN2 3787/4885NFE2L2 418/4885MAPK1 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.