SCHEMBL5536353

SCHEMBL5536353

O=COCCCCCCc1cc(Br)ccn1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
HRH1 P35367 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
SCHEMBL5536237 1.00 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL27777586 0.88 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5536344 0.79 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL5536232 0.79 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL5541944 0.79 KCNH2 (0.36) KDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL1048028 0.78 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2
SCHEMBL25457192 0.78 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5544618 0.77 HRH1 (0.56) KDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL5252530 0.77 HRH1 (0.56) KDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL5536480 0.75 HRH1 (0.53) KDM4EALDH1A1SMN1; SMN2HRH1

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 KDM4E 4854/4885ALDH1A1 355/4885SMN1; SMN2 3985/4885

“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.