SCHEMBL7528262

SCHEMBL7528262

CC(=O)c1ccc(-c2ccc(CN3C(=N)NC(C)(CC(C)C)C3=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
ALDH1A1 P00352 3/20 0.34
BACE1 P56817 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7532198 0.90 LMNA (0.39) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL7528303 0.90 LMNA (0.41) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14105167 0.87 LMNA (0.32) LMNASMN1; SMN2HDAC6NPC1HTT
SCHEMBL12503860 0.83 LMNA (0.38) LMNASMN1; SMN2HDAC6NPC1HTT
SCHEMBL7516414 0.83 BACE1 (0.42) LMNASMN1; SMN2HDAC6RAB9AALDH1A1
SCHEMBL7532103 0.83 CMA1 (0.45) LMNASMN1; SMN2HTTMMP12ALDH1A1
SCHEMBL7532206 0.82 ALDH1A1 (0.34) LMNASMN1; SMN2ALDH1A1MAPTCRHBP
SCHEMBL7520998 0.82 SMN1; SMN2 (0.45) LMNASMN1; SMN2HTTALDH1A1BACE1
SCHEMBL7516353 0.82 CNR1 (0.40) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL8290131 0.82 SMN1; SMN2 (0.41) LMNASMN1; SMN2HDAC6HTTALDH1A1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416108-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-9416108-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-20150105354-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 US disclosed
US-20150105354-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 US disclosed
US-8937093-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 US disclosed
US-8937093-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 US disclosed
US-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-8778980-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778980-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20140057910-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2014-02-27 US disclosed
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-12-10 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 US disclosed
US-7592348-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592348-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 US disclosed
US-20070072852-A1 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents SCHERING CORPORATION 2007-03-29 US disclosed
US-20070072852-A1 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents SCHERING CORPORATION 2007-03-29 US disclosed
WO-2006065277-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-06-22 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 (6 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-20140057910-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ LMNA 2376/4885SMN1; SMN2 1186/4885HDAC6 2107/4885
US-20070072852-A1 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents CTSD, PRSS1, CTSZ LMNA 927/4885SMN1; SMN2 443/4885HDAC6 3379/4885
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ LMNA 2376/4885SMN1; SMN2 1186/4885HDAC6 2107/4885
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 LMNA 1236/4885SMN1; SMN2 740/4885HDAC6 1566/4885
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 LMNA 2420/4885SMN1; SMN2 1261/4885HDAC6 2138/4885
US-20150105354-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ LMNA 2376/4885SMN1; SMN2 1186/4885HDAC6 2107/4885

“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.