SCHEMBL5541724

SCHEMBL5541724

[CH2]n1cc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.45
PTGS2 P35354 3/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.36

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
SCHEMBL3761893 0.79 DRD2 (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL3754849 0.79 PTGS1 (0.40) PTGS2ALOX15KDM4EALDH1A1MEN1
SCHEMBL5541734 0.77 CSNK1D (0.57) PTGIRKMT2AMAPK14BRAFMAPK13
SCHEMBL7915220 0.75 PTGS2 (0.66) PTGS2BCHEACHEKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL27671233 0.74 PTGS2 (0.64) PTGS2BCHEACHEKDM4EALDH1A1
SCHEMBL21851730 0.74 PTGS2 (0.55) PTGS2BCHEACHEKDM4EALDH1A1
SCHEMBL10439309 0.72 PTGIR (0.51) PTGIRPTGS2KDM4EALDH1A1MEN1
SCHEMBL10434231 0.72 PTGIR (0.55) PTGIRPTGS2KDM4EMEN1KMT2A
SCHEMBL11484651 0.71 PTGIR (0.66) PTGIRPTGS2KDM4EALDH1A1MEN1
SCHEMBL5258671 0.70 MAPK13 (0.71) MAPK14BRAFMAPK13CSNK1DCSNK1E

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 PTGIR 3964/4885PTGS2 3418/4885BCHE 4833/4885

“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.