SCHEMBL5543439

SCHEMBL5543439

O=COCCc1nnnn1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HSD11B1 P28845 2/20 0.39
PTGS2 P35354 2/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
NLRP3 Q96P20 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
SCHEMBL5537177 0.86 ALDH1A1 (0.49) ALDH1A1LMNANPSR1L3MBTL1HSD11B1
SCHEMBL5546087 0.86 HSD11B1 (0.50) ALDH1A1LMNAGAANPSR1L3MBTL1
SCHEMBL5548019 0.86 HSD11B1 (0.53) ALDH1A1CYP1A2CYP2C19LMNANPSR1
SCHEMBL5543973 0.85 POLB (0.45) ALDH1A1LMNAIDO1L3MBTL1MAPT
SCHEMBL6002885 0.81 CYP1A2 (0.53) ALDH1A1CYP1A2CYP2C19LMNAGAA
SCHEMBL5543435 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19LMNAGAA
SCHEMBL5543817 0.80 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL5537091 0.76 ALDH1A1 (0.42) ALDH1A1LMNANPSR1MAPTHSD17B10
SCHEMBL5536571 0.76 HSD11B1 (0.44) ALDH1A1LMNAIDO1NPSR1MAPT
SCHEMBL5539749 0.74 KCNN4 (0.41) ALDH1A1LMNANPSR1HSD11B1PKM

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 ALDH1A1 355/4885CYP1A2 659/4885CYP2C19 2521/4885

“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.