SCHEMBL2635965

SCHEMBL2635965

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.43
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
TPMT P51580 1/20 0.41
PLAU P00749 1/20 0.40
CYP2C19 P33261 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39

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
SCHEMBL2635943 0.87 TDP1 (0.49) TDP1TSHRKDM4EPTGDR2MAPT
SCHEMBL2636007 0.86 MEN1 (0.50) TDP1TSHRPTGDR2MAPTKMT2A
SCHEMBL2635491 0.85 POLB (0.53) TDP1TSHRKDM4EMAPTKMT2A
SCHEMBL2635775 0.85 TDP1 (0.41) TDP1TSHRPTGDR2MAPTKMT2A
SCHEMBL2636145 0.84 MEN1 (0.56) TDP1MAPTKMT2AMEN1NPC1
SCHEMBL2635113 0.84 ANO1 (0.48) TDP1KDM4EPTGDR2KMT2AMEN1
SCHEMBL2635848 0.83 NPC1 (0.52) TDP1MAPTKMT2AMEN1NPC1
SCHEMBL2635596 0.83 NPC1 (0.48) TDP1KMT2AMEN1NPC1POLB
SCHEMBL2635701 0.82 MEN1 (0.60) TDP1MAPTKMT2AMEN1NPC1
SCHEMBL2635115 0.82 MEN1 (0.44) TDP1TSHRPTGDR2KMT2AMEN1

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 TDP1 2961/4885TSHR 3302/4885KDM4E 4569/4885

“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.