SCHEMBL3851940

SCHEMBL3851940

COc1ccc(CN2C(=O)Cc3ccccc3-c3ccccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
APAF1 O14727 2/20 0.77
CASP3 P42574 2/20 0.77
GAA P10253 1/20 0.77
SENP8 Q96LD8 1/20 0.77
SENP7 Q9BQF6 1/20 0.77
SENP6 Q9GZR1 1/20 0.77
L3MBTL1 Q9Y468 2/20 0.60
MDH2 P40926 2/20 0.55
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
GSK3B P49841 2/20 0.51
BLM P54132 1/20 0.50
CMA1 P23946 1/20 0.50
KDM4E B2RXH2 2/20 0.49
APP P05067 2/20 0.48
SNCA P37840 2/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL14938439 0.89 MEN1 (0.71) MEN1KMT2AAPAF1CASP3GAA
SCHEMBL2580937 0.87 KMT2A (1.00) MEN1KMT2AAPAF1CASP3GAA
SCHEMBL15627434 0.83 MEN1 (0.70) MEN1KMT2AAPAF1CASP3GAA
SCHEMBL15620249 0.82 MEN1 (0.69) MEN1KMT2AAPAF1CASP3GAA
SCHEMBL31399122 0.81 L3MBTL1 (0.58) MEN1KMT2AAPAF1CASP3GAA
SCHEMBL25557092 0.81 L3MBTL1 (0.58) MEN1KMT2AAPAF1CASP3GAA
SCHEMBL30100689 0.80 POLB (0.71) MEN1KMT2AAPAF1CASP3GAA
SCHEMBL4328336 0.80 POLB (0.71) MEN1KMT2AAPAF1CASP3GAA
SCHEMBL30100692 0.80 POLB (0.71) MEN1KMT2AAPAF1CASP3GAA
SCHEMBL1185454 0.79 MEN1 (0.55) MEN1KMT2AAPAF1CASP3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673347-B1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
EP-2164830-B1 PROCESS FOR THE PREPARATION OF DIBENZO [B,D]AZEPIN-6-ONE DERIVATIVE HOFFMANN LA ROCHE (CH) 2013-05-29 EP disclosed
US-7579464-B2 Process for preparation of enantiomerically pure compounds HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579464-B2 Process for preparation of enantiomerically pure compounds HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579464-B2 Process for preparation of enantiomerically pure compounds HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
EP-1711470-B1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-20080293933-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2008-11-27 US disclosed
US-20080293933-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2008-11-27 US disclosed
US-20080293933-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2008-11-27 US disclosed
US-7166587-B2 Carbamic acid alkyl ester derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
US-7160875-B2 Malonamide derivatives HOFFMANN-LA RACHE INC. (US) 2007-01-09 US disclosed
EP-1711470-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2006-10-18 EP disclosed
EP-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP disclosed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20050075327-A1 Carbamic acid alkyl ester derivatives HOFFMAN-LA ROCHE INC. 2005-04-07 US disclosed
WO-2005023772-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
US-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. 2005-03-10 US 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-20050075327-A1 Carbamic acid alkyl ester derivatives BCHE, CHRM1, ADCY7 MEN1 1340/4885KMT2A 2212/4885APAF1 3047/4885
US-20080293933-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE COMPOUNDS BACE1, BACE2, BCHE MEN1 260/4885KMT2A 3051/4885APAF1 1225/4885
US-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease BACE1, BACE2, APP MEN1 1679/4885KMT2A 3495/4885APAF1 367/4885

“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.