SCHEMBL5539375

SCHEMBL5539375

Cc1ccc2nccc([O])c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.54
ADRA1D P25100 4/20 0.54
ADRA1A P35348 4/20 0.54
ADRA1B P35368 4/20 0.54
PARP1 P09874 1/20 0.49
ALDH1A1 P00352 3/20 0.46
SLC22A12 Q96S37 1/20 0.44
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 1/20 0.41
UHRF1 Q96T88 1/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 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
SCHEMBL5543680 0.84 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BPARP1
SCHEMBL24956766 0.81 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BPARP1
SCHEMBL29847401 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BPARP1
SCHEMBL873431 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BPARP1
SCHEMBL5536166 0.78 ATAD2 (0.41) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL12031050 0.77 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BPARP1
SCHEMBL18544878 0.76 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BPARP1
SCHEMBL4758609 0.76 LMNA (0.56) HTR1AADRA1DADRA1AADRA1BPARP1
SCHEMBL16289832 0.76 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BPARP1
SCHEMBL5539379 0.76 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BPARP1

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 HTR1A 4141/4885ADRA1D 320/4885ADRA1A 326/4885

“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.