SCHEMBL5541853

SCHEMBL5541853

CCOc1ccc2co[c]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CYP1A2 P05177 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP19A1 P11511 1/20 0.44
NQO1 P15559 1/20 0.43
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 2/20 0.40
LTA4H P09960 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL5540553 0.86 CYP11B1 (0.44) CA12CA1CYP1A2CA4CA6
SCHEMBL4476964 0.80 CYP2A6 (0.50) CA12CA1CYP1A2CA4CA6
SCHEMBL29629327 0.74 NQO1 (0.68) CA12CA1CYP1A2CA4CA6
SCHEMBL3825385 0.74 NQO1 (0.68) CA12CA1CYP1A2CA4CA6
SCHEMBL2251601 0.72 NQO1 (0.43) CA12CA1CYP1A2CA4CA6
SCHEMBL5545251 0.72 GPR3 (0.40) CYP1A2TP53CYP3A4KMT2AGAA
SCHEMBL29357645 0.71 AGXT (0.63) CA12CA1CYP1A2CA4CA6
SCHEMBL111274 0.71 AGXT (0.63) CA12CA1CYP1A2CA4CA6
SCHEMBL30209608 0.71 AGXT (0.63) CA12CA1CYP1A2CA4CA6
SCHEMBL17629449 0.71 AGXT (0.63) CA12CA1CYP1A2CA4CA6

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 CA12 1998/4885CA1 3493/4885CYP1A2 659/4885

“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.