SCHEMBL5540307

SCHEMBL5540307

O=[C]OCc1cc2cc(F)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
AGXT P21549 1/20 0.38
IDO1 P14902 3/20 0.38
ATM Q13315 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
PGR P06401 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL5540597 0.88 AGXT (0.38) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL5542277 0.85 CA12 (0.38) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL5534528 0.81 AGXT (0.38) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL5539159 0.81 CYP2A6 (0.45) CA12CA1CA2CA9AGXT
SCHEMBL5540512 0.80 CA12 (0.35) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL5541856 0.79 AGXT (0.62) CA2AGXT
SCHEMBL20559454 0.73 LOXL2 (0.58) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL120404 0.73 IDO1 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL1287489 0.73 CA12 (0.42) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL2095179 0.73 CA12 (0.42) HDAC3HDAC1HDAC2HDAC6HDAC8

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 HDAC3 108/4885HDAC1 322/4885HDAC2 502/4885

“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.