SCHEMBL5545709

SCHEMBL5545709

COc1cccc(CN2CC[N]C2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.56
SIGMAR1 Q99720 2/20 0.54
PKM P14618 2/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
DRD4 P21917 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL9704364 0.92 CMA1 (0.54) CMA1SIGMAR1PKMALDH1A1KDM4E
SCHEMBL5537205 0.85 ROCK2 (0.42) CMA1PKMKMT2AMEN1GAA
SCHEMBL5536668 0.82 GAA (0.55) CMA1SIGMAR1ALDH1A1KDM4EKMT2A
SCHEMBL3120489 0.81 CMA1 (0.54) CMA1SIGMAR1PKMALDH1A1KDM4E
SCHEMBL5548109 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1
SCHEMBL9704692 0.78 BCL2L1 (0.40) SIGMAR1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL5537145 0.78 SMN1; SMN2 (0.50) KDM4EKMT2AMEN1
SCHEMBL5539504 0.78 MAPT (0.60) SIGMAR1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL30527306 0.77 MEN1 (0.67) CMA1SIGMAR1PKMALDH1A1KDM4E
SCHEMBL4004474 0.77 MEN1 (0.67) CMA1SIGMAR1PKMALDH1A1KDM4E

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 6 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
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 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 CMA1 4476/4885SIGMAR1 234/4885PKM 4291/4885

“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.