SCHEMBL5539451

SCHEMBL5539451

Cc1cc2oc(=O)[nH]c2cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.53
NOS3 P29474 3/20 0.53
NOS2 P35228 3/20 0.53
KMO O15229 1/20 0.52
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRA2A P08913 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
OGT O15294 1/20 0.41
CREBBP Q92793 1/20 0.41
ACLY P53396 1/20 0.40
DAO P14920 1/20 0.40
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALPL P05186 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
SCHEMBL5536562 0.93 NOS1 (0.53) NOS1NOS3NOS2KMOLMNA
SCHEMBL2549381 0.84 KMO (0.59) NOS1NOS3NOS2KMOLMNA
SCHEMBL17069084 0.84 NOS1 (0.60) NOS1NOS3NOS2KMOLMNA
SCHEMBL12727816 0.79 KMO (0.49) NOS1NOS3NOS2KMOLMNA
SCHEMBL24981075 0.78 KMO (0.52) NOS1NOS3NOS2KMOLMNA
SCHEMBL7067142 0.78 KMO (0.52) NOS1NOS3NOS2KMOLMNA
SCHEMBL11040016 0.78 NOS1 (0.53) NOS1NOS3NOS2KMOLMNA
SCHEMBL4297310 0.78 KMO (0.52) NOS1NOS3NOS2KMOLMNA
SCHEMBL5539443 0.78 KMO (0.52) NOS1NOS3NOS2KMOLMNA
SCHEMBL5539700 0.78 NOS1 (0.53) NOS1NOS3NOS2KMOLMNA

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 8 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
WO-2009011880-A2 HETEROCYCLIC MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO 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 NOS1 553/4885NOS3 214/4885NOS2 610/4885

“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.