SCHEMBL5543629

SCHEMBL5543629

Oc1ccc(N2CCC(Nc3ccc(C(F)(F)C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME3 Q16798 4/20 0.41
DEGS1 O15121 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ME2 P23368 2/20 0.41
ME1 P48163 2/20 0.41
CA12 O43570 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
CA1 P00915 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
NOTUM Q6P988 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PHGDH O43175 1/20 0.36
POLB P06746 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL5542619 0.89 ME3 (0.51) ME3DEGS1HDAC1HDAC8HDAC6
SCHEMBL5543622 0.87 HDAC1 (0.41) DEGS1HDAC1HDAC8HDAC6CA12
SCHEMBL5534511 0.85 ME3 (0.43) ME3ME2ME1PHGDHPOLB
SCHEMBL5542050 0.82 CA12 (0.58) ME3DEGS1ME2ME1CA12
SCHEMBL6426191 0.81 CHRM4 (0.41) ME3HDAC1HDAC8HDAC6CA12
SCHEMBL5544285 0.81 CHRM4 (0.49)
SCHEMBL5537275 0.79 CA12 (0.58) ME3DEGS1HDAC1HDAC8HDAC6
SCHEMBL5534883 0.79 ME3 (0.61) ME3ME2ME1CA12CA2
SCHEMBL5541087 0.77 SCD (0.46) ME3DEGS1ME2ME1CA12
SCHEMBL5542611 0.76 CA2 (0.49) DEGS1HDAC1HDAC8HDAC6CA12

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 ME3 146/4885DEGS1 1664/4885HDAC1 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.