SCHEMBL6010695

SCHEMBL6010695

C[C@]1(COc2ccc(N3CCN(C(=O)OCc4ccc(Cl)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
KCNH2 Q12809 5/20 0.56
ENPP2 Q13822 4/20 0.45
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
LIN28A Q9H9Z2 1/20 0.39
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL5542575 0.92 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5540577 0.92 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5540781 0.92 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5544110 0.91 KCNH2 (0.71) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5539089 0.91 KCNH2 (0.71) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5537692 0.91 KCNH2 (0.71) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5546516 0.90 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5547591 0.90 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5542718 0.90 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL6010760 0.89 PTGS1 (0.63) PTGS1SLC6A2SLC6A4KCNH2ENPP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US 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 PTGS1 3838/4885SLC6A2 3396/4885SLC6A4 4191/4885

“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.