SCHEMBL2090780

SCHEMBL2090780

COc1ccc(OC)c(/C=C/C[C]=O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.63
CYP1B1 Q16678 6/20 0.63
CYP1A2 P05177 5/20 0.63
NFE2L2 Q16236 2/20 0.63
JUN P05412 1/20 0.58
NFKB1 P19838 1/20 0.58
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.54
CYP19A1 P11511 1/20 0.51
TLR9 Q9NR96 1/20 0.49
ALDH1A1 P00352 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL2090782 1.00 CYP1A1 (0.63) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL2090582 0.90 CYP1A2 (0.66) CYP1A1CYP1B1CYP1A2NFE2L2ALDH1A1
SCHEMBL2090580 0.90 CYP1A2 (0.66) CYP1A1CYP1B1CYP1A2NFE2L2ALDH1A1
SCHEMBL2098136 0.83 CYP1A1 (0.62) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL2098134 0.83 CYP1A1 (0.62) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL5542266 0.83 CYP1A1 (0.54) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL5542259 0.83 CYP1A1 (0.54) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL2090784 0.82 CYP1A1 (0.60) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL12521534 0.81 CYP1A1 (0.64) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL30758000 0.81 CYP1A1 (0.64) CYP1A1CYP1B1CYP1A2NFE2L2JUN

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 CYP1A1 1306/4885CYP1B1 862/4885CYP1A2 420/4885

“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.