SCHEMBL2636709

SCHEMBL2636709

CN(C)C(=O)COc1ccccc1NC(=O)COc1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRPM4 Q8TD43 3/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 3/20 0.44
MAPK10 P53779 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
NOD2 Q9HC29 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL2636138 0.90 POLB (0.45) POLBSMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL2636056 0.89 POLB (0.51) POLBSMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL2635491 0.89 POLB (0.53) POLBSMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL2636416 0.89 POLB (0.47) POLBSMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL2636273 0.88 NPC1 (0.56) POLBSMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL2635601 0.88 POLB (0.42) POLBSMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL2635583 0.87 POLB (0.51) POLBSMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL2635974 0.87 LMNA (0.49) POLBSMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL2635787 0.85 LMNA (0.49) POLBSMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL2635896 0.85 POLB (0.48) POLBSMN1; SMN2CYP1A2CYP2C19NPC1

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
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US claimed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP claimed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO claimed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 POLB 2948/4885SMN1; SMN2 508/4885CYP1A2 1573/4885

“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.