SCHEMBL5536707

SCHEMBL5536707

CC(CCCNC=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PDE2A O00408 1/20 0.40
GCGR P47871 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SCN8A Q9UQD0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 3/20 0.36
SLC7A5 Q01650 2/20 0.35
ACACB O00763 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL5543187 0.82 CA1 (0.38) PDE2AKDM4E
SCHEMBL5536705 0.81 ALDH1A1 (0.41) ALDH1A1HDAC3HDAC1HDAC2PDE2A
SCHEMBL1042393 0.80 PDE2A (0.45) ALDH1A1HDAC3HDAC1HDAC2PDE2A
SCHEMBL2091069 0.80 PDE2A (0.40) ALDH1A1HDAC3HDAC1HDAC2PDE2A
SCHEMBL23655798 0.79 HDAC1 (0.43) ALDH1A1HDAC3HDAC1HDAC2KDM4E
SCHEMBL1042394 0.77 PDE2A (0.45) ALDH1A1HDAC3HDAC1HDAC2PDE2A
SCHEMBL2093775 0.77 PDE2A (0.45) ALDH1A1HDAC3HDAC1HDAC2PDE2A
SCHEMBL2093778 0.77 SLC7A5 (0.52) ALDH1A1PDE2ASLC7A5EPHX1
SCHEMBL5543402 0.76 HTR2A (0.44) ALDH1A1
SCHEMBL19506428 0.76 PDE2A (0.48) ALDH1A1HDAC3HDAC1HDAC2PDE2A

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 ALDH1A1 355/4885HDAC3 108/4885HDAC1 322/4885

“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.