SCHEMBL2636698

SCHEMBL2636698

O=C(O)COc1ccc(CO)cc1NC(=O)COc1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
MAPT P10636 3/20 0.48
MAPK10 P53779 1/20 0.48
POLB P06746 2/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TRPM4 Q8TD43 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2635495 0.93 NPC1 (0.48) NPC1RAB9AMAPTMAPK10POLB
SCHEMBL2635666 0.92 POLB (0.43) NPC1RAB9AMAPTMAPK10POLB
SCHEMBL2635491 0.87 POLB (0.53) NPC1RAB9AMAPTMAPK10POLB
SCHEMBL2635923 0.85 MEN1 (0.52) NPC1RAB9AMAPTMAPK10POLB
SCHEMBL2636308 0.84 POLB (0.45) NPC1RAB9AMAPTMAPK10POLB
SCHEMBL2635925 0.83 RAB9A (0.50) NPC1RAB9AMAPTPOLBNFKB1
SCHEMBL2635596 0.83 NPC1 (0.48) NPC1RAB9APOLBTDP1MEN1
SCHEMBL2636032 0.83 POLB (0.44) NPC1RAB9AMAPTMAPK10POLB
SCHEMBL2635646 0.82 NPC1 (0.55) NPC1RAB9AMAPTMAPK10POLB
SCHEMBL2636007 0.82 MEN1 (0.50) NPC1RAB9AMAPTPOLBNFKB1

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 NPC1 215/4885RAB9A 2053/4885MAPT 1202/4885

“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.