SCHEMBL5541937

SCHEMBL5541937

O=[C]OCCCc1cc(Cl)ccn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
CCR1 P32246 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR4A2 P43354 1/20 0.32
PDE8A O60658 1/20 0.32
FERMT2 Q96AC1 3/20 0.31
HTT P42858 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
S1PR4 O95977 1/20 0.30

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
SCHEMBL5536344 0.79 KDM4E (0.33) CYP4F2CYP4A11ALDH1A1
SCHEMBL5536232 0.79 KDM4E (0.33) CYP4F2CYP4A11ALDH1A1
SCHEMBL13605796 0.79 HTT (0.43) KCNH2CCR1CYP1A2ALDH1A1MAPT
SCHEMBL5541944 0.78 KCNH2 (0.36) KCNH2CCR1CYP1A2CYP4F2CYP4A11
SCHEMBL4334481 0.76 HRH1 (0.50) CYP1A2ALDH1A1
SCHEMBL27759762 0.73 CCR1 (0.42) CCR1CYP1A2ALDH1A1MAPTL3MBTL1
SCHEMBL11274198 0.73 FERMT2 (0.49) CCR1CYP1A2NR4A2PDE8AFERMT2
SCHEMBL4906476 0.71 KCNH2 (0.44) KCNH2CCR1CYP1A2ALDH1A1MAPT
SCHEMBL27620344 0.71 CYP1A2 (0.34) CCR1CYP1A2ALDH1A1MAPTL3MBTL1
SCHEMBL5536476 0.71 HRH1 (0.53) CYP1A2ALDH1A1

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 KCNH2 3503/4885CCR1 564/4885CYP1A2 659/4885

“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.