SCHEMBL2635601

SCHEMBL2635601

CN(C)C(=O)COc1cc(CN)ccc1NC(=O)COc1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK10 P53779 1/20 0.38
TP53 P04637 1/20 0.38
TRPM4 Q8TD43 3/20 0.38
G6PD P11413 1/20 0.37
BRD4 O60885 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
CTDSP1 Q9GZU7 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
SCHEMBL2636125 0.91 POLB (0.44) POLBSMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL2636308 0.90 POLB (0.45) POLBSMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL2636709 0.88 POLB (0.48) POLBSMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL2636150 0.84 SMN1; SMN2 (0.41) POLBSMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL2635666 0.83 POLB (0.43) POLBSMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL2635543 0.83 TRPM4 (0.43) POLBSMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL2635609 0.82 MEN1 (0.36) POLBSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2635495 0.82 NPC1 (0.48) POLBSMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL2636032 0.82 POLB (0.44) POLBSMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL2635455 0.80 MEN1 (0.49) POLBSMN1; SMN2RAB9ANPC1MEN1

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
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US 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.