SCHEMBL2090816

SCHEMBL2090816

COc1cc(C=CCC=O)cc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.61
CYP1B1 Q16678 6/20 0.61
NQO2 P16083 5/20 0.52
ESR1 P03372 4/20 0.52
CYP1A2 P05177 3/20 0.52
ABL1 P00519 3/20 0.52
BCR P11274 3/20 0.52
TTR P02766 3/20 0.52
AHR P35869 3/20 0.52
PTGS2 P35354 3/20 0.52
ABCB1 P08183 2/20 0.52
ALOX5 P09917 2/20 0.52
CYP19A1 P11511 2/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52

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
SCHEMBL2096873 0.82 CHRM2 (0.66) CYP1A1CYP1B1NQO2CYP1A2CYP19A1
SCHEMBL28122484 0.82 CYP1A1 (0.53) CYP1A1CYP1B1NQO2ESR1CYP1A2
SCHEMBL2096858 0.82 CYP1A1 (0.64) CYP1A1CYP1B1NQO2ESR1CYP1A2
SCHEMBL2096856 0.82 CYP1A1 (0.64) CYP1A1CYP1B1NQO2ESR1CYP1A2
SCHEMBL17368760 0.81 CYP1A1 (0.57) CYP1A1CYP1B1NQO2ESR1CYP1A2
SCHEMBL13710800 0.80 ALDH1A1 (0.57) CYP1A1CYP1B1NQO2ESR1CYP1A2
SCHEMBL2096555 0.80 ALDH1A1 (0.57) CYP1A1CYP1B1NQO2ESR1CYP1A2
SCHEMBL14416281 0.79 CYP1A1 (0.67) CYP1A1CYP1B1NQO2ESR1CYP1A2
SCHEMBL256043 0.79 CYP1A1 (0.67) CYP1A1CYP1B1NQO2ESR1CYP1A2
SCHEMBL15287783 0.79 CYP1A1 (0.67) CYP1A1CYP1B1NQO2ESR1CYP1A2

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 862/4885NQO2 27/4885

“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.