SCHEMBL5547846

SCHEMBL5547846

COc1ccccc1O[CH]c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA12 O43570 1/20 0.56
CA4 P22748 1/20 0.56
CA14 Q9ULX7 1/20 0.56
NFE2L2 Q16236 2/20 0.52
TRPA1 O75762 2/20 0.52
CYP1A1 P04798 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP1B1 Q16678 3/20 0.50
TUBB1 Q9H4B7 2/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46

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
SCHEMBL5540149 0.84 NFE2L2 (0.57) CA1CA2CA7CA9CA12
SCHEMBL5534728 0.83 NFE2L2 (0.56) CA1CA2CA7CA9CA12
SCHEMBL5546522 0.81 CYP1A1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL5542361 0.81 CYP1A1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL7426089 0.80 CYP1A1 (0.49) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL5535600 0.78 SCN4A (0.42) NFE2L2TRPA1CYP1A2ALDH1A1MAPK1
1,2-Dimethoxybenzene SCHEMBL27452731 0.78 CA1 (0.93) CA1CA2CA7CA9CA12
SCHEMBL5542469 0.78 ALDH1A1 (0.42) NFE2L2TRPA1CYP1A2ALDH1A1ADRA2B
SCHEMBL10640652 0.77 CA1 (0.68) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL27615214 0.76 ALDH1A1 (0.64) CA1CA2CA7CA9CA12

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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CA1 3493/4885CA2 1853/4885CA7 2152/4885

“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.