SCHEMBL5542382

SCHEMBL5542382

O=COC1CCN(c2ccc(C(F)(F)C(F)(F)F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
CYP3A4 P08684 2/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DEGS1 O15121 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
AKR1C3 P42330 1/20 0.34
FFAR1 O14842 3/20 0.33
GCK P35557 2/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL5535616 0.88 NOTUM (0.51) NOTUMCYP3A4CA12CA2CA9
SCHEMBL5541996 0.83 NOTUM (0.44) NOTUMHRH3L3MBTL1ALDH1A1LMNA
SCHEMBL5542372 0.81 NOTUM (0.39) NOTUMCYP3A4CA12CA2CA9
SCHEMBL5540472 0.78 MAPT (0.47) GPR119AKR1C3FFAR1L3MBTL3L3MBTL1
SCHEMBL5536223 0.78 MBTD1 (0.47) NOTUMCYP3A4GPR119FFAR1L3MBTL3
SCHEMBL5542885 0.76 ADRB1 (0.50) NOTUMALDH1A1POLBMAPTCYP2C9
SCHEMBL6955998 0.75 CHKA (0.48) CYP3A4HRH3SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5539231 0.74 NOTUM (0.55) NOTUMHRH3L3MBTL1ALDH1A1LMNA
SCHEMBL5540477 0.74 TTR (0.37) NOTUMAKR1C3FFAR1
SCHEMBL5538976 0.73 FFAR1 (0.38) HRH3FFAR1

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 3827/4885CYP3A4 1683/4885CA12 1998/4885

“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.