SCHEMBL5536441

SCHEMBL5536441

FC(F)(F)c1ccc(C2CCC[N]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
PTGS2 P35354 1/20 0.39
KDM1A O60341 3/20 0.39
MAOB P27338 2/20 0.39
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KIF11 P52732 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35

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
SCHEMBL2092914 0.83 HTR2C (0.36) HTR2CPTGS2KDM1AMAOBKIF11
SCHEMBL9428267 0.81 SLC6A2 (0.38) KIF11NISCH
SCHEMBL10379980 0.79 KDM1A (0.42) HTR2CKDM1A
SCHEMBL2426698 0.77 GRIN2B (0.45) KDM1ANISCHRCOR1
SCHEMBL2749914 0.76 CYP1A2 (0.39)
SCHEMBL5537503 0.75 CYP19A1 (0.36) HTR2CKDM1ANISCH
SCHEMBL8004698 0.75 ESR2 (0.41) KDM1A
SCHEMBL4751341 0.74 NOS1 (0.48) HTR2CKDM1AMAOBRCOR1
SCHEMBL3115176 0.74 NOS1 (0.48) HTR2CKDM1AMAOBRCOR1
SCHEMBL546334 0.74 NOS1 (0.48) HTR2CKDM1AMAOBRCOR1

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 HTR2C 2910/4885PTGS2 3418/4885KDM1A 4622/4885

“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.