SCHEMBL5868908

SCHEMBL5868908

COc1cccc(-c2ccc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c3cccc(C#N)c3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.45
ALDH1A1 P00352 1/20 0.43
VCP P55072 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC2 Q92769 1/20 0.41
MCHR1 Q99705 1/20 0.40
P4HB P07237 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
CBX7 O95931 1/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
JAK2 O60674 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL5868942 0.94 ERCC5 (0.44) PLAUALDH1A1KMT2AMEN1NPC1
SCHEMBL5869023 0.91 HDAC1 (0.42) PLAUALDH1A1KMT2AMEN1ERCC5
SCHEMBL5868787 0.91 HDAC1 (0.42) PLAUALDH1A1KMT2AMEN1ERCC5
SCHEMBL5869064 0.90 GSK3B (0.39) ALDH1A1HDAC2GSK3B
SCHEMBL5869030 0.90 GSK3B (0.40) PLAUALDH1A1GSK3B
SCHEMBL5868849 0.89 KCNQ4 (0.41) MCHR1GSK3B
SCHEMBL5869010 0.88 KCNQ4 (0.45) ALDH1A1MCHR1GSK3B
SCHEMBL5868943 0.86 ABL1 (0.42) PLAUALDH1A1KMT2AMEN1GSK3B
SCHEMBL5869082 0.85 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AHDAC2GSK3B
SCHEMBL5869070 0.85 VCP (0.38) VCPGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (3 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 PLAU 4486/4885ALDH1A1 637/4885VCP 3851/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 PLAU 4373/4885ALDH1A1 1025/4885VCP 4009/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 PLAU 4373/4885ALDH1A1 1025/4885VCP 4009/4885

“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.