SCHEMBL5543622

SCHEMBL5543622

[O]c1ccc(N2CCC(Nc3ccc(C(F)(F)C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
NOTUM Q6P988 1/20 0.36
POLB P06746 1/20 0.35
CCR5 P51681 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DEGS1 O15121 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
AKR1C3 P42330 1/20 0.34
CYP3A4 P08684 1/20 0.34
EPHX2 P34913 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
SCHEMBL5542611 0.89 CA2 (0.49) HDAC1HDAC8HDAC6CA12CA2
SCHEMBL5543629 0.87 ME3 (0.41) HDAC1HDAC8HDAC6CA12CA2
SCHEMBL5534508 0.85 IDH2 (0.40) POLBDRD2DRD3EPHX2KDM4E
SCHEMBL5542047 0.82 DRD2 (0.45) HDAC1HDAC8HDAC6CA12CA2
SCHEMBL5543554 0.81 ALDH1A1 (0.38) HDAC1HDAC8HDAC6DRD2DRD3
SCHEMBL5544277 0.81 EPHX2 (0.46) EPHX2
SCHEMBL5537271 0.79 POLB (0.58) HDAC1HDAC8HDAC6CA12CA2
SCHEMBL5534878 0.79 ME3 (0.47) HDAC1HDAC8HDAC6CA12CA2
SCHEMBL5541081 0.77 SCD (0.46) CNR1EPHX2KDM4EUSP2GAA
SCHEMBL2095123 0.76 PCSK9 (0.42) ALDH1A1GAAMAPT

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 HDAC1 322/4885HDAC8 993/4885HDAC6 941/4885

“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.