SCHEMBL5534579

SCHEMBL5534579

O=[C]NCc1ccccc1C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.38
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
ATM Q13315 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 2/20 0.33
TDP1 Q9NUW8 3/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
SCN8A Q9UQD0 1/20 0.31

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
SCHEMBL45603 0.86 KDM4E (0.46) EPHX2KDM4EALDH1A1ATMHDAC3
SCHEMBL5534582 0.76 ADH1B (0.44) EPHX2KDM4EALDH1A1HDAC3HDAC1
SCHEMBL18242814 0.74 IDO1 (0.38) EPHX2KDM4EALDH1A1ATMNPSR1
SCHEMBL5539587 0.72 IDO1 (0.43) IDO1
SCHEMBL5538442 0.72 HDAC3 (0.38) EPHX2ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL81122 0.72 LMNA (0.55) ALDH1A1ATMKMT2ARECQLGAA
SCHEMBL3847471 0.71 HDAC3 (0.48) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL18243612 0.71 DAO (0.37) EPHX2KDM4EALDH1A1ATMHDAC1
SCHEMBL5546693 0.70 GABRA1 (0.43) ALDH1A1NPSR1HTTGAA
SCHEMBL2095080 0.70 IDO1 (0.42) KDM4EALDH1A1ATMIDO1TDP1

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 EPHX2 3662/4885KDM4E 4854/4885ALDH1A1 355/4885

“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.