SCHEMBL5543496

SCHEMBL5543496

[CH2]c1ccccc1NCc1ccccc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KCNN3 Q9UGI6 1/20 0.44
TACR1 P25103 1/20 0.43
PRKCQ Q04759 1/20 0.42
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
NTRK1 P04629 2/20 0.38
GAA P10253 2/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL5543537 0.88 L3MBTL1 (0.44) HDAC3HDAC1HDAC2HDAC6L3MBTL1
SCHEMBL5545750 0.80 L3MBTL1 (0.67) L3MBTL1ALDH1A1MAPTGRIN1GAA
SCHEMBL5536341 0.76 KDM4E (0.45) HDAC3HDAC1HDAC2HDAC6L3MBTL1
SCHEMBL5541397 0.76 MAPT (0.42) L3MBTL1TACR1MAPTMEN1HTT
SCHEMBL96142 0.76 GAA (0.38) L3MBTL1ALDH1A1MAPTGRIN1GRIN2B
SCHEMBL5546609 0.76 L3MBTL1 (0.47) L3MBTL1TACR1P2RX7ALDH1A1MAPT
SCHEMBL5536417 0.76 KDM1A (0.46) HDAC3HDAC1HDAC2HDAC6KCNN3
SCHEMBL22957856 0.75 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6KCNN3
SCHEMBL5164077 0.75 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC6KCNN3
SCHEMBL5543785 0.74 L3MBTL1 (0.50) L3MBTL1ALDH1A1MAPTMEN1KMT2A

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 HDAC3 108/4885HDAC1 322/4885HDAC2 502/4885

“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.