SCHEMBL5543010

SCHEMBL5543010

CCCc1cccc(N(C=O)Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
OPRM1 P35372 5/20 0.40
OPRD1 P41143 5/20 0.40
OPRK1 P41145 5/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
KIF11 P52732 1/20 0.40
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSPO P30536 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL2089859 0.83 RAB9A (0.54) TSHRCRHBPCRHR2NPC1JAK2
SCHEMBL305634 0.81 TSHR (0.50) TSHRCNR2NPC1ALDH1A1HTT
SCHEMBL2088980 0.79 PTGES (0.42) TSHRCRHBPCRHR2NPC1ALDH1A1
SCHEMBL2092724 0.79 TSHR (0.40) TSHRCRHBPCRHR2NPC1JAK2
SCHEMBL2093397 0.79 PGR (0.41) TSHRCRHBPCRHR2NPC1ALDH1A1
SCHEMBL2091943 0.79 MEN1 (0.48) TSHRCRHBPCRHR2KMT2AL3MBTL1
SCHEMBL19670694 0.78 DRD3 (0.44) TSHROPRM1OPRD1OPRK1DRD2
SCHEMBL5543005 0.77 TSHR (0.41) TSHROPRM1OPRD1OPRK1DRD2
SCHEMBL2090195 0.76 MEN1 (0.49) OPRM1ALDH1A1KMT2A
SCHEMBL5605506 0.76 TSPO (0.55) TSHRCNR2NPC1JAK2ALDH1A1

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 TSHR 319/4885OPRM1 518/4885OPRD1 159/4885

“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.