SCHEMBL5869167

SCHEMBL5869167

Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(-c4ccc(F)cc4)ccc3NC(=O)OC(C)(C)C)c2)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.41
HDAC1 Q13547 8/20 0.41
HDAC3 O15379 6/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
KCNQ4 P56696 3/20 0.40
KCNQ5 Q9NR82 3/20 0.40
CYP17A1 P05093 2/20 0.40
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5868808 0.90 HDAC6 (0.40) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7456547 0.89 KDM4E (0.42) HDAC2MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL6165090 0.84 HDAC6 (0.41) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6433186 0.84 HDAC6 (0.42) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7468376 0.83 KCNQ4 (0.40) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL6433738 0.83 HDAC6 (0.41) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6167470 0.82 HDAC6 (0.42) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6167245 0.82 HDAC6 (0.40) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL6433106 0.82 MAPT (0.41) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5562711 0.82 KCNQ4 (0.41) HDAC1HDAC3HDAC2KCNQ4KCNQ5

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 HDAC6 2652/4885HDAC1 1283/4885HDAC3 1124/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 HDAC6 2712/4885HDAC1 1506/4885HDAC3 978/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 HDAC6 2712/4885HDAC1 1506/4885HDAC3 978/4885

“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.