SCHEMBL5543537

SCHEMBL5543537

[CH2]c1ccccc1NCc1ccccc1OC(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 4/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
P2RX7 Q99572 1/20 0.36
GAA P10253 3/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 6/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35
PRKCQ Q04759 1/20 0.35
TACR1 P25103 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33

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
SCHEMBL5543496 0.88 HDAC3 (0.48) L3MBTL1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL2097616 0.78
SCHEMBL5545750 0.77 L3MBTL1 (0.67) L3MBTL1ALDH1A1GAAMAPTKDM4E
SCHEMBL5543900 0.77 FLT1 (0.39) ALDH1A1HDAC1P2RX7GAAMAPT
SCHEMBL5543513 0.74 MAPT (0.42) L3MBTL1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL5536341 0.74 KDM4E (0.45) L3MBTL1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL5541454 0.74 ABCB1 (0.43) L3MBTL1ALDH1A1P2RX7GAARXFP1
SCHEMBL5546609 0.74 L3MBTL1 (0.47) L3MBTL1ALDH1A1P2RX7GAACA12
SCHEMBL2088941 0.73 SLC6A3 (0.34) HDAC3HDAC1HDAC2HDAC6
SCHEMBL5538447 0.72 ADH1B (0.41) ALDH1A1HDAC3HDAC1HDAC2HDAC6

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 L3MBTL1 1931/4885ALDH1A1 355/4885HDAC3 108/4885

“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.