SCHEMBL5541996

SCHEMBL5541996

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HTR7 P34969 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
ACACB O00763 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL5539231 0.89 NOTUM (0.55) NOTUMALDH1A1POLBHTR3EHTR3B
SCHEMBL5542382 0.83 NOTUM (0.40) NOTUMALDH1A1POLBMAPTLMNA
SCHEMBL5541989 0.83 NOTUM (0.43) NOTUMALDH1A1POLBHTR3EHTR3B
SCHEMBL27918380 0.79 HTR3E (0.51) NOTUMALDH1A1HTR3EHTR3BHTR2C
SCHEMBL5540929 0.78 NOTUM (0.51) NOTUMALDH1A1MAPTRAB9AACACB
SCHEMBL5542885 0.77 ADRB1 (0.50) NOTUMALDH1A1POLBHTR3EHTR3B
SCHEMBL5536223 0.77 MBTD1 (0.47) NOTUMALDH1A1POLBHTR3EHTR3B
SCHEMBL5535616 0.75 NOTUM (0.51) NOTUMHRH3
SCHEMBL5540477 0.73 TTR (0.37) NOTUM
SCHEMBL5536949 0.73 L3MBTL3 (0.43) HTR7L3MBTL1

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 355/4885POLB 1637/4885

“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.