SCHEMBL6656900

SCHEMBL6656900

COC(=O)c1ncoc1[CH]Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
GSK3B P49841 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.40
RNASEH1 O60930 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MMP2 P08253 1/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
FBP1 P09467 1/20 0.37
CES1 P23141 2/20 0.37
FAAH O00519 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
DAGLA Q9Y4D2 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
SCHEMBL11317135 0.76 PTGIR (0.48) SMN1; SMN2CYP1A2GSK3BRNASEH1CES1
SCHEMBL6656904 0.75 MMP2 (0.52) SMN1; SMN2CYP1A2GSK3BRNASEH1KDM4E
SCHEMBL14269110 0.71 MMP2 (0.42) SMN1; SMN2CYP1A2GSK3BPKMRNASEH1
SCHEMBL1969272 0.71 ADORA2A (0.64) SMN1; SMN2GSK3BKDM4EMAPTLMNA
SCHEMBL13150796 0.69 GSK3B (0.61) SMN1; SMN2GSK3BKDM4EMAPTLMNA
SCHEMBL6372051 0.69 ADORA2A (0.60) SMN1; SMN2GSK3BKDM4EMAPTLMNA
SCHEMBL9637303 0.68 ALDH1A1 (0.59) SMN1; SMN2L3MBTL1MAPTCA1CA2
SCHEMBL17869561 0.68 IMPDH2 (0.44) CYP1A2GSK3BL3MBTL1PKMRNASEH1
SCHEMBL7429208 0.67 L3MBTL1 (0.52) SMN1; SMN2GSK3BL3MBTL1MAPTLMNA
SCHEMBL28171240 0.66 NPSR1 (0.43) SMN1; SMN2GSK3BL3MBTL1PKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1264846-C Bicyclic pyrrolyl amides as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2006-07-19 CN disclosed
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
CN-1473163-A Bicyclic pyrrolyl amides as glycogen phosphorylase inhibitors 2004-02-04 CN disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL SMN1; SMN2 2364/4885CYP1A2 2676/4885GSK3B 256/4885

“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.