SCHEMBL5535303

SCHEMBL5535303

Cc1scc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
GPR3 P46089 5/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SCN5A Q14524 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL5538028 0.87 GRM5 (0.41) GRM5ABL1BCRGPR3NPC1
SCHEMBL5535295 0.81 GPR3 (0.40) GRM5ABL1BCRGPR3NPC1
SCHEMBL5543342 0.79 CYP1A2 (0.45) NPC1RAB9ALMNACYP1A2GAA
SCHEMBL5544002 0.75 ALDH1A1 (0.47) LMNATP53CYP1A2CYP3A4BLM
SCHEMBL5542145 0.73 CYP2A6 (0.50) GRM5ABL1BCRGPR3NPC1
SCHEMBL5538024 0.71 KIF11 (0.41) GRM5GPR3NPC1RAB9ASCN5A
SCHEMBL5543399 0.71 PGK1 (0.40) SCN9A
SCHEMBL12369504 0.71 GPR3 (0.59) GPR3NPC1RAB9ASCN5AGMNN
SCHEMBL2091623 0.71 CYP1A2 (0.37) GRM5TP53CYP1A2KIF11
SCHEMBL14525519 0.70 GPR3 (0.43) GPR3NPC1RAB9ASCN5AGMNN

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 GRM5 897/4885ABL1 2364/4885BCR 616/4885

“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.