SCHEMBL5546345

SCHEMBL5546345

O=[C]OCCCN1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.46
HRH2 P25021 3/20 0.45
HRH1 P35367 3/20 0.45
HRH3 Q9Y5N1 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
XDH P47989 1/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5544470 0.94 CXCR4 (0.47) CXCR4HRH2HRH1HRH3SMN1; SMN2
SCHEMBL5540209 0.88 POLB (0.45) CXCR4HRH2HRH1HRH3SMN1; SMN2
SCHEMBL5946007 0.82 HRH3 (0.46) HRH2HRH1HRH3SMN1; SMN2ALDH1A1
SCHEMBL5251321 0.80 HRH3 (0.50) HRH1HRH3SMN1; SMN2
SCHEMBL9869031 0.78 PAOX (0.43) HRH3POLBSIGMAR1MEN1KMT2A
SCHEMBL9869778 0.77 KEAP1 (0.48) HRH2HRH1HRH3SMN1; SMN2SIGMAR1
SCHEMBL5543473 0.75 SMN1; SMN2 (0.39) CXCR4SMN1; SMN2POLBSIGMAR1MEN1
SCHEMBL8561716 0.74 HRH3 (0.54) HRH3MAPT
SCHEMBL584267 0.74 MEN1 (0.51) CXCR4HRH2HRH1HRH3SMN1; SMN2
SCHEMBL3956261 0.74 POLB (0.52) CXCR4HRH2HRH1HRH3SMN1; SMN2

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 629/4885HRH2 730/4885HRH1 668/4885

“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.