SCHEMBL5539231

SCHEMBL5539231

O=COC1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
ALDH1A1 P00352 4/20 0.55
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR1D P28221 1/20 0.55
HTR2C P28335 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
POLB P06746 2/20 0.53
LMNA P02545 2/20 0.49
HTR7 P34969 2/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48

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
SCHEMBL5541996 0.89 NOTUM (0.44) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL5542885 0.85 ADRB1 (0.50) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL30410508 0.83 NOTUM (0.58) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL5535616 0.82 NOTUM (0.51) NOTUMHRH3
SCHEMBL5539228 0.82 NOTUM (0.54) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL27918380 0.81 HTR3E (0.51) NOTUMALDH1A1HTR3EHTR3BHTR2C
SCHEMBL5540929 0.80 NOTUM (0.51) NOTUMALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL5536223 0.79 MBTD1 (0.47) NOTUMALDH1A1HTR3EHTR3BHTR3A
SCHEMBL17754019 0.78 ALDH1A1 (0.53) NOTUMALDH1A1HTR3EHTR3BHTR1D
SCHEMBL28226906 0.78 ALDH1A1 (0.77) ALDH1A1HTR3EHTR3BHTR1DHTR2C

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 NOTUM 3827/4885ALDH1A1 355/4885HTR3E 3949/4885

“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.