SCHEMBL5542007

SCHEMBL5542007

O=CCCCCCC1CNCCN1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.39
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.31
FAAH O00519 2/20 0.31
PARP1 P09874 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL7297443 0.98 CXCR4 (0.40) CXCR4TSHRHIF1APARP1
SCHEMBL5548332 0.93 CXCR4 (0.41) CXCR4HIF1APARP1
SCHEMBL5539783 0.85 CXCR4 (0.36) CXCR4PARP1
SCHEMBL5543312 0.78 CXCR4 (0.36) CXCR4
SCHEMBL5542975 0.78 CXCR4 (0.36) CXCR4
SCHEMBL5662356 0.77 CXCR4 (0.42) CXCR4PARP1
SCHEMBL9751519 0.76 S1PR1 (0.42) CXCR4
SCHEMBL15155327 0.76 S1PR1 (0.42) CXCR4
SCHEMBL3129740 0.76 S1PR1 (0.42) CXCR4
SCHEMBL10797222 0.76 S1PR1 (0.42) CXCR4

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 CXCR4 629/4885TSHR 319/4885HIF1A 2302/4885

“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.