SCHEMBL5539835

SCHEMBL5539835

CCC1Cc2cccc([O])c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.38
PARP1 P09874 3/20 0.36
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALPG P10696 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAOB P27338 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL17974425 0.81 PRKAB2 (0.45) MAOAPARP1PRKAB2PRKAG1PRKAA2
SCHEMBL5539842 0.79 DRD2 (0.51) MAOAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17974419 0.79 AQP1 (0.42) MAOAPARP1PRKAB2PRKAG1PRKAA2
SCHEMBL5544990 0.77 PARP1 (0.58) MAOAPARP1SMN1; SMN2MAOB
SCHEMBL5542883 0.72 MAOA (0.44) MAOACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL434338 0.71 HRH3 (0.49) MAOADRD2MAOB
SCHEMBL27022305 0.70 SMN1; SMN2 (0.51) MAOASMN1; SMN2MAOBALDH1A1TSHR
SCHEMBL17974444 0.69 PRKDC (0.39) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25851943 0.68 PRKAB2 (0.37) MAOAPRKAB2PRKAG1PRKAA2PRKAA1
Bicarbonate SCHEMBL8124381 0.68 GPBAR1 (0.44) MAOAMAOBALDH1A1HPGDTSHR

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 MAOA 2885/4885PARP1 4420/4885PRKAB2 3290/4885

“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.