SCHEMBL5868947

SCHEMBL5868947

CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccc(F)cc2)cc1NC(=O)CC(=O)c1cccc(-n2ccnn2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.40
KCNQ5 Q9NR82 3/20 0.40
KEAP1 Q14145 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NOTUM Q6P988 4/20 0.33
TSHR P16473 1/20 0.33
CYP17A1 P05093 1/20 0.33
KAT6A Q92794 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7148120 0.90 KCNQ4 (0.34) KCNQ4KCNQ5KEAP1NPC1RAB9A
SCHEMBL5869106 0.90 CYP17A1 (0.41) KCNQ4KCNQ5KEAP1NPC1RAB9A
SCHEMBL5869020 0.87 ABL1 (0.41) KCNQ4KCNQ5CYP17A1
SCHEMBL5868994 0.87 KCNQ4 (0.40) KCNQ4KCNQ5NPC1RAB9ACYP17A1
SCHEMBL5868991 0.85 KEAP1 (0.37) KCNQ4KCNQ5KEAP1NPC1RAB9A
SCHEMBL5868803 0.85 KEAP1 (0.37) KCNQ4KCNQ5KEAP1NPC1RAB9A
SCHEMBL5869088 0.84 KCNQ4 (0.40) KCNQ4KCNQ5
SCHEMBL6433675 0.84 L3MBTL1 (0.38) NOTUM
SCHEMBL7139867 0.83 KEAP1 (0.35) KCNQ4KCNQ5KEAP1NPC1RAB9A
SCHEMBL5868872 0.83 CYP3A4 (0.40) KCNQ4KCNQ5KEAP1NOTUMCYP17A1

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 KCNQ4 972/4885KCNQ5 805/4885KEAP1 2001/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 KCNQ4 673/4885KCNQ5 628/4885KEAP1 1823/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 KCNQ4 673/4885KCNQ5 628/4885KEAP1 1823/4885

“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.