SCHEMBL5539160

SCHEMBL5539160

[CH2]c1scc2c(OCC)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 3/20 0.40
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
L3MBTL1 Q9Y468 5/20 0.36
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
PABPC1 P11940 1/20 0.35
HTR1B P28222 1/20 0.35
GRK6 P43250 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
ADORA2B P29275 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
SCHEMBL5539166 0.82 CYP2A6 (0.41) CYP2A6ALDH1A1DRD2DRD4DRD3
SCHEMBL5537366 0.79 CA2 (0.41) CYP2A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL30503999 0.78 ALDH1A1 (0.54) CYP2A6ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL3818341 0.78 ALDH1A1 (0.54) CYP2A6ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL5534859 0.76 MAPT (0.40) CYP2A6ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL5541666 0.76 ALDH1A1 (0.38) CYP2A6ALDH1A1DRD2DRD4DRD3
SCHEMBL7835587 0.76 CYP2A6 (0.45) CYP2A6ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL4185735 0.72 ALDH1A1 (0.52) CYP2A6ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL5543695 0.71 CYP2A6 (0.37) CYP2A6ALDH1A1DRD2DRD4DRD3
SCHEMBL5534900 0.71 MPL (0.40) KDM4ECYP2D6

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 CYP2A6 1119/4885ALDH1A1 355/4885DRD2 542/4885

“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.