SCHEMBL5539581

SCHEMBL5539581

O=[C]OCc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
SOD1 P00441 1/20 0.35
CACNA1H O95180 4/20 0.35
CES2 O00748 3/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
GPR17 Q13304 1/20 0.33
CACNA1B Q00975 3/20 0.31
CACNA1C Q13936 3/20 0.31
CACNA1G O43497 1/20 0.30
NOTUM Q6P988 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL2096262 0.77 IDO1 (0.57) IDO1SOD1CES2CACNA1C
SCHEMBL5539586 0.74 MGLL (0.36) IDO1SOD1CACNA1HCES2RXRA
SCHEMBL16140153 0.73 KMT2A (0.38) IDO1SOD1CACNA1HCES2RXRA
SCHEMBL16140127 0.73 KMT2A (0.33) IDO1SOD1CACNA1H
SCHEMBL5545190 0.71 IDO1 (0.32) IDO1CES2
SCHEMBL5545194 0.71 IDO1 (0.32) IDO1CES2
SCHEMBL18243397 0.71 CES2 (0.41) IDO1CACNA1HCES2GPR17CACNA1B
SCHEMBL3194188 0.71 CES2 (0.37) IDO1SOD1CACNA1HCES2CACNA1B
SCHEMBL2094884 0.69 IDO1 (0.57) IDO1
SCHEMBL24146619 0.68 AR (0.38) IDO1CACNA1HCES2RXRARXRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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 IDO1 3181/4885SOD1 2876/4885CACNA1H 3782/4885

“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.