SCHEMBL590486

SCHEMBL590486

COc1ccc2ncnc(OCCC[C@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.47
SIGMAR1 Q99720 5/20 0.46
CLK1 P49759 2/20 0.41
LMNA P02545 1/20 0.40
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL590323 1.00 GRM2 (0.47) GRM2SIGMAR1CLK1LMNAPDE5A
SCHEMBL591827 1.00 GRM2 (0.47) GRM2SIGMAR1CLK1LMNAPDE5A
SCHEMBL589858 0.86 PDE5A (0.49) GRM2SIGMAR1CLK1LMNAPDE5A
SCHEMBL590285 0.86 PDE5A (0.49) GRM2SIGMAR1CLK1LMNAPDE5A
SCHEMBL589860 0.86 PDE5A (0.49) GRM2SIGMAR1CLK1LMNAPDE5A
SCHEMBL632760 0.86 SIGMAR1 (0.51) GRM2SIGMAR1CLK1KCNH2
SCHEMBL632762 0.86 SIGMAR1 (0.51) GRM2SIGMAR1CLK1KCNH2
SCHEMBL590021 0.85 GRM2 (0.48) GRM2SIGMAR1CLK1LMNAKCNH2
SCHEMBL591586 0.85 GRM2 (0.48) GRM2SIGMAR1CLK1LMNAKCNH2
SCHEMBL590023 0.85 GRM2 (0.48) GRM2SIGMAR1CLK1LMNAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY GRM2 4516/4885SIGMAR1 33/4885CLK1 1494/4885

“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.