SCHEMBL979265

SCHEMBL979265

CC(C)c1ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HCAR3 P49019 1/20 0.41
MYOC Q99972 1/20 0.41
LMNA P02545 1/20 0.40
KCNMA1 Q12791 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
SCHEMBL8231247 0.84 ALDH1A1 (0.58) KMT2AALDH1A1NPC1MAPK1HTT
SCHEMBL31365089 0.84 ALDH1A1 (0.58) KMT2AALDH1A1NPC1MAPK1HTT
SCHEMBL15160073 0.83 HTT (0.53) KMT2AALDH1A1NPC1MAPK1HTT
SCHEMBL8469198 0.83 KCNMA1 (0.50) MEN1KMT2AALDH1A1NPC1GLA
SCHEMBL29799606 0.82 KCNMA1 (0.53) MEN1KMT2AALDH1A1NPC1GLA
SCHEMBL31663746 0.82 APP (0.55) MEN1KMT2AALDH1A1NPC1MAPK1
SCHEMBL30573735 0.82 ALDH1A1 (0.64) MEN1KMT2AALDH1A1NPC1GLA
SCHEMBL5557413 0.82 NPC1 (0.48) MEN1KMT2AALDH1A1NPC1GLA
SCHEMBL1265609 0.82 KCNMA1 (0.53) MEN1KMT2AALDH1A1NPC1GLA
SCHEMBL14740824 0.82 KMT2A (0.45) MEN1KMT2AALDH1A1NPC1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO disclosed
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 (4 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 MEN1 3699/4885KMT2A 1397/4885ALDH1A1 637/4885
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 MEN1 3674/4885KMT2A 86/4885ALDH1A1 912/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 MEN1 3796/4885KMT2A 1239/4885ALDH1A1 1025/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 MEN1 3796/4885KMT2A 1239/4885ALDH1A1 1025/4885

“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.