SCHEMBL5546306

SCHEMBL5546306

CN1C(=O)[N]c2ccc(C(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HSP90AA1 P07900 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KCNMA1 Q12791 1/20 0.38
AADAT Q8N5Z0 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KIF11 P52732 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL5541636 0.87 HCAR1 (0.39) TSHRHSP90AA1NPSR1CYP1A2MAPT
SCHEMBL5543649 0.80 ALDH1A1 (0.35) TSHRHSP90AA1NPSR1CYP1A2MAPT
SCHEMBL5545985 0.77 SRD5A1 (0.36) ALDH1A1KDM4E
SCHEMBL5540195 0.74 LMNA (0.40) AADATCA12CA9KCNH2
SCHEMBL28257012 0.68 NOS3 (0.35) ALDH1A1KIF11NOTUMPKM
SCHEMBL23713626 0.66 KIF11 (0.47) TSHRHSP90AA1NPSR1CYP1A2MAPT
SCHEMBL28257039 0.66 KIF11 (0.34) TSHRCYP1A2MAPTKMT2AMEN1
SCHEMBL22605731 0.65 PARP1 (0.44) TSHRHSP90AA1NPSR1CYP1A2MAPT
SCHEMBL5535855 0.65 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5070034 0.65 ALDH1A1 (0.41) TSHRHSP90AA1NPSR1CYP1A2MAPT

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 TSHR 319/4885HSP90AA1 2426/4885NPSR1 747/4885

“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.