SCHEMBL5540286

SCHEMBL5540286

CCOc1cccc2cc(-c3cc[c]cc3)c(=O)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
DAO P14920 2/20 0.40
GUSB P08236 1/20 0.38
GRK6 P43250 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
PDE10A Q9Y233 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5546591 0.87 ADORA3 (0.43) ADORA3ADORA2AADORA1DAOGUSB
SCHEMBL5542696 0.86 NPC1 (0.48) ADORA3ADORA2ADAOMEN1NPC1
SCHEMBL5540393 0.80 NPC1 (0.57) ADORA3ADORA2AADORA1DAOGUSB
SCHEMBL1368453 0.74 DAO (0.47) DAOGRK6NPC1RAB9AKDM4E
SCHEMBL829245 0.74 CA12 (0.49) ADORA3ADORA2AADORA1DAOGUSB
SCHEMBL5539065 0.73 HSD17B10 (0.54) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL5543703 0.73 HSD17B10 (0.54) MEN1NPC1RAB9AKMT2AATM
SCHEMBL6170201 0.73 NPC1 (0.62) ADORA3ADORA2AADORA1MEN1NPC1
SCHEMBL5536470 0.72 NPC1 (0.45) ADORA3MEN1NPC1RAB9AKMT2A
SCHEMBL6169452 0.71 NPC1 (0.56) ADORA3MEN1NPC1RAB9AKMT2A

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 6 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 ADORA3 203/4885ADORA2A 1954/4885ADORA1 631/4885

“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.