SCHEMBL5536093

SCHEMBL5536093

O=[C]OCc1csc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.38
MTNR1B P49286 5/20 0.38
KDM4E B2RXH2 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PPARD Q03181 4/20 0.33
PPARA Q07869 4/20 0.33
CYP2A6 P11509 3/20 0.33
PPARG P37231 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CA2 P00918 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL2092953 0.82 MTNR1A (0.37) MTNR1AMTNR1BKDM4ECRHBPCRHR2
SCHEMBL5541315 0.76 CYP2A6 (0.58) CYP2A6CA2KEAP1NFE2L2PKM
SCHEMBL5539899 0.75 PPM1A (0.36) KDM4ECRHBPCRHR2NPC1RAB9A
SCHEMBL5537434 0.75 MRGPRX4 (0.38) KDM4ECRHBPCRHR2GAASLC6A2
SCHEMBL2091848 0.73 MRGPRX4 (0.43) PPARDPPARACYP3A4CYP2C9SCN5A
SCHEMBL5539672 0.72 CYP2A6 (0.55) CRHBPCRHR2CYP2A6CA2TP53
SCHEMBL5536091 0.72 NPC1 (0.39) KDM4ENPC1RAB9AGMNNUSP2
SCHEMBL5543561 0.72
SCHEMBL2092957 0.71 PPARD (0.42) PPARDPPARAPPARGNPC1RAB9A
SCHEMBL5542145 0.71 CYP2A6 (0.50) KDM4ECRHBPCRHR2CYP2A6NPC1

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 1562/4885KDM4E 4854/4885

“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.