SCHEMBL2096489

SCHEMBL2096489

COc1cccc(OCO)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NFE2L2 Q16236 2/20 0.45
MAPK1 P28482 2/20 0.44
ABCB1 P08183 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL2087971 0.87 SMN1; SMN2 (0.65) SMN1; SMN2TSHRL3MBTL1NFE2L2MAPK1
SCHEMBL25434306 0.82 CA1 (0.61) SMN1; SMN2TSHRNFE2L2MAPK1ALDH1A1
SCHEMBL151213 0.82 CA1 (0.61) SMN1; SMN2TSHRNFE2L2MAPK1ALDH1A1
SCHEMBL27753904 0.82 CA1 (0.61) SMN1; SMN2TSHRNFE2L2MAPK1ALDH1A1
SCHEMBL12129060 0.81 SMN1; SMN2 (0.57) SMN1; SMN2TSHRL3MBTL1MAPK1ABCB1
SCHEMBL1836069 0.80 CA1 (0.62) SMN1; SMN2TSHRL3MBTL1MAPK1ALDH1A1
SCHEMBL29375647 0.80 CA1 (0.62) SMN1; SMN2TSHRL3MBTL1MAPK1ALDH1A1
SCHEMBL19118221 0.80 SMN1; SMN2 (0.43) SMN1; SMN2TSHRL3MBTL1MAPK1ALDH1A1
Propane SCHEMBL27582651 0.80 SMN1; SMN2 (0.60) SMN1; SMN2TSHRL3MBTL1NFE2L2MAPK1
Ammonia Solution, Strong SCHEMBL4268652 0.79 SMN1; SMN2 (0.58) SMN1; SMN2TSHRNFE2L2MAPK1ALDH1A1

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 3787/4885TSHR 162/4885L3MBTL1 2575/4885

“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.