SCHEMBL5535013

SCHEMBL5535013

CC1(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)CO1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.40
GAA P10253 1/20 0.40
GPR55 Q9Y2T6 1/20 0.39
KMT2A Q03164 1/20 0.37
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ABHD6 Q9BV23 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
IKBKB O14920 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL5540085 0.86 GAA (0.53) NOTUMGAANPC1RAB9AGRIN1
SCHEMBL5539230 0.85 NOTUM (0.43) NOTUMGAA
SCHEMBL5542205 0.84 NOTUM (0.54) NOTUMGAAKDM4EGRIN1GRIN2B
SCHEMBL5539512 0.84 GRIN1 (0.44) KMT2AKDM4EGRIN1GRIN2B
SCHEMBL5536702 0.83 GRIN1 (0.46) KMT2AKDM4EGRIN1GRIN2B
SCHEMBL5537595 0.76 KCNH2 (0.50) GAAGPR55GRIN1GRIN2B
SCHEMBL8385461 0.73 NOTUM (0.64) NOTUMGPR55KMT2AKDM4ENPC1
SCHEMBL10437800 0.72 NOTUM (0.42) NOTUMGAAGPR55KMT2ANPC1
SCHEMBL27465937 0.69 KMT2A (0.41) NOTUMGAAKMT2AABHD6
SCHEMBL7951517 0.68 GAA (0.45) GAAPPARAABHD6L3MBTL1

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 NOTUM 3827/4885GAA 4165/4885GPR55 2060/4885

“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.