SCHEMBL5536341

SCHEMBL5536341

[CH2]c1ccccc1NCc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 2/20 0.42
ACP1 P24666 1/20 0.42
CYP3A4 P08684 1/20 0.42
CD38 P28907 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL23177917 0.80 ALDH1A1 (0.49) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL29822135 0.80 ALDH1A1 (0.49) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL5543785 0.77 L3MBTL1 (0.50) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL6692058 0.77 UTS2R (0.51) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL5543496 0.76 HDAC3 (0.48) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL6647057 0.75 HDAC3 (0.49) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL5543537 0.74 L3MBTL1 (0.44) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL23144798 0.74 MAPT (0.63) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL13436118 0.74 SCN8A (0.54) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL28254786 0.74 CA12 (0.75) KDM4EALDH1A1L3MBTL1CA12CA2

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 KDM4E 4854/4885HDAC3 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.