SCHEMBL5542844

SCHEMBL5542844

CN(C(=O)OCc1ccc(Cl)cc1)C1CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MMP2 P08253 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX4 Q99571 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MMP1 P03956 1/20 0.38

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
SCHEMBL5546397 0.86 HTR2A (0.42) HTR2AL3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL633907 0.85 SIGMAR1 (0.54) ALDH1A1L3MBTL1NPSR1SIGMAR1MEN1
SCHEMBL633302 0.85 SIGMAR1 (0.54) ALDH1A1L3MBTL1NPSR1SIGMAR1MEN1
SCHEMBL3252019 0.72 CYP3A4 (0.47) ALDH1A1L3MBTL1NPSR1CYP1A2CYP3A4
SCHEMBL10673433 0.72 HTR2A (0.46) HTR2AALDH1A1L3MBTL1NPSR1CYP1A2
SCHEMBL11665604 0.71 MEN1 (0.48) HTR2AALDH1A1L3MBTL1NPSR1CYP1A2
SCHEMBL2079859 0.70 SIGMAR1 (0.53) ALDH1A1L3MBTL1NPSR1SIGMAR1MEN1
SCHEMBL20683501 0.70 CHRNB2 (0.53) ALDH1A1L3MBTL1NPSR1CYP1A2CYP3A4
SCHEMBL11881954 0.70 L3MBTL1 (0.43) HTR2AALDH1A1L3MBTL1NPSR1CYP1A2
SCHEMBL197163 0.69 ALDH1A1 (0.64) ALDH1A1L3MBTL1NPSR1CYP1A2CYP3A4

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 HTR2A 4120/4885ALDH1A1 355/4885L3MBTL1 1931/4885

“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.