SCHEMBL5536574

SCHEMBL5536574

[O]c1ccc(N2CCN(Cc3cccc(C(F)(F)C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
DRD4 P21917 4/20 0.46
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
GALR3 O60755 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL5541635 0.90 KDM4E (0.62) KDM4EALDH1A1GAALMNAPOLB
SCHEMBL5536579 0.88 DRD4 (0.60) KDM4EALDH1A1GAALMNAPOLB
SCHEMBL5542057 0.84 PPARD (0.50) KDM4EALDH1A1GAAMAPTITGB3
SCHEMBL5534599 0.80 ALDH1A1 (0.60) KDM4EALDH1A1MAPTDRD4DRD2
SCHEMBL5540624 0.80 DRD4 (0.52) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL5536602 0.79 DRD2 (0.54) KDM4EALDH1A1MAPTITGB3ITGA2B
SCHEMBL5540751 0.78 SIGMAR1 (0.65) KDM4EALDH1A1LMNAMAPTDRD4
SCHEMBL6863480 0.78 SIGMAR1 (0.67) KDM4EALDH1A1GAALMNAPOLB
SCHEMBL2097321 0.77 ALDH1A1 (0.57) KDM4EALDH1A1GAALMNAPOLB
SCHEMBL2095998 0.77 ALDH1A1 (0.57) KDM4EALDH1A1GAALMNAPOLB

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 KDM4E 4854/4885ALDH1A1 355/4885GAA 4165/4885

“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.