SCHEMBL5547672

SCHEMBL5547672

COc1cccc(-c2cccc3n[c]sc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
NFKB1 P19838 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 5/20 0.44
CYP3A4 P08684 5/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2B6 P20813 3/20 0.44
AHR P35869 2/20 0.44
NR1I3 Q14994 2/20 0.44
VDR P11473 1/20 0.44
TOP1 P11387 1/20 0.43
ADORA2A P29274 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DYRK1A Q13627 1/20 0.43
TDO2 P48775 1/20 0.43
ADORA1 P30542 1/20 0.42

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
SCHEMBL5544603 0.85 ACACA (0.44) MAPTNFKB1RAB9ANFKB2RELA
SCHEMBL29013230 0.73 ASH1L (0.59) MAPTNFKB1RAB9ANFKB2RELA
SCHEMBL30311933 0.73 ASH1L (0.59) MAPTNFKB1RAB9ANFKB2RELA
SCHEMBL3455245 0.72 ABL1 (0.60) NFKB1RAB9ANFKB2RELASMN1; SMN2
SCHEMBL2020140 0.72 ABL1 (0.59) NFKB1RAB9ANFKB2RELASMN1; SMN2
SCHEMBL3383561 0.72 NQO2 (0.46) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL28300679 0.70 CYP1A2 (0.55) MAPTNFKB1RAB9ANFKB2RELA
SCHEMBL13211663 0.69 ABL1 (0.60) CYP1A2CYP3A4CYP2C9CYP2B6ADORA2A
SCHEMBL14118224 0.69 CD274 (0.60) CYP1A2CYP3A4CYP2C9CYP2B6CLK4
SCHEMBL29489425 0.68 CYP3A4 (0.73) CYP1A2CYP3A4CYP2C9CYP2B6CLK4

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 MAPT 4117/4885NFKB1 1554/4885RAB9A 2824/4885

“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.