SCHEMBL5539883

SCHEMBL5539883

[CH2]CCC1CNc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP19A1 P11511 2/20 0.35
IDO1 P14902 1/20 0.35
ADRA2A P08913 1/20 0.32
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL28138448 0.86 MTNR1A (0.55) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL13305786 0.83 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL8569647 0.80 MTNR1A (0.57) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL8569646 0.80 MTNR1A (0.57) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL10974953 0.80 MTNR1A (0.64) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL8569794 0.79 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL8562571 0.79 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL8569790 0.79 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL8562578 0.79 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL8562575 0.79 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2AEPHX2

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 MTNR1A 1560/4885MTNR1B 1562/4885MEN1 3295/4885

“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.