SCHEMBL5546068

SCHEMBL5546068

FC(F)(F)C(F)(F)c1cccc(CNc2cc[c]cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
CHEK2 O96017 1/20 0.39
ABL1 P00519 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CSNK1G2 P78368 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKG2 Q13237 1/20 0.39
ROCK1 Q13464 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
SCHEMBL5544937 0.88 FFAR1 (0.58) FFAR1FFAR4CHEK1DAPK3ROCK2
SCHEMBL5543351 0.87 L3MBTL1 (0.40) FFAR1FFAR4ROCK1RXFP1HDAC1
SCHEMBL5544728 0.85 CYP2D6 (0.39) FFAR1FFAR4HDAC1KDM4EL3MBTL1
SCHEMBL5542120 0.80 CXCR4 (0.47) HDAC6KDM4EL3MBTL1MAPK1
SCHEMBL5544344 0.76 FFAR1 (0.55) FFAR1DAPK3ABL1PRKACACLK2
SCHEMBL5545910 0.76 MAPT (0.42) FFAR1FFAR4P2RX7KDM4EL3MBTL1
SCHEMBL5535976 0.75 KDM5A (0.48) FFAR1ROCK2ROCK1P2RX7KDM4E
SCHEMBL5540623 0.75 IDH2 (0.44) APPMAPK1
SCHEMBL5543319 0.75 TAAR1 (0.53) FFAR1FFAR4RXFP1HDAC1KDM4E
SCHEMBL5541171 0.73 HTT (0.49) CLK4APPP2RX7KCNN3MAPK1

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 FFAR1 105/4885FFAR4 338/4885CHEK1 4376/4885

“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.