SCHEMBL2090428

SCHEMBL2090428

COc1ccccc1[CH]c1c(OC)cccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.52
TRPA1 O75762 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TFEB P19484 1/20 0.48
CYP1A1 P04798 5/20 0.47
CYP1A2 P05177 5/20 0.47
CYP1B1 Q16678 5/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP19A1 P11511 1/20 0.46
TLR2 O60603 1/20 0.46
ERN1 O75460 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
GRIN2D O15399 2/20 0.44

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
SCHEMBL240090 0.86 CA1 (0.60) NFE2L2TRPA1CA12CA1CA2
SCHEMBL5250991 0.84 CA1 (0.55) NFE2L2TRPA1CA12CA1CA2
SCHEMBL8923377 0.78 NFE2L2 (0.52) NFE2L2TRPA1CA12CA1CA2
SCHEMBL3241394 0.78 NFE2L2 (0.68) NFE2L2TRPA1CA12CA1CA2
SCHEMBL1603719 0.77 NFE2L2 (0.79) NFE2L2TRPA1CA12CA1CA2
SCHEMBL7915752 0.77 NFE2L2 (0.79) NFE2L2TRPA1CA12CA1CA2
SCHEMBL4019329 0.77 NFE2L2 (0.79) NFE2L2TRPA1CA12CA1CA2
SCHEMBL27865804 0.76 MAPT (0.48) NFE2L2TRPA1CA12CA1CA2
SCHEMBL98304 0.75 NFE2L2 (0.57) NFE2L2TRPA1CA12CA1CA2
SCHEMBL7051005 0.75 NFE2L2 (0.61) NFE2L2TRPA1CA12CA1CA2

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 NFE2L2 418/4885TRPA1 2870/4885CA12 3179/4885

“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.