SCHEMBL609333

SCHEMBL609333

CC(C)C[CH]NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)c1ccc(-n2cccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
RAB9A P51151 5/20 0.35
LMNA P02545 2/20 0.35
AOC2 O75106 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TGM2 P21980 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
NPC1 O15118 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALB P02768 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL606441 0.89 CTSL (0.39) RAB9AALDH1A1NPC1SMN1; SMN2TP53
SCHEMBL609334 0.88 KDM1A (0.38) KDM1ARAB9ALMNAAOC2ALDH1A1
SCHEMBL608016 0.88 HSP90AA1 (0.39) RAB9ALMNAALDH1A1MAPTMEN1
SCHEMBL607652 0.87 RAB9A (0.38) RAB9ALMNAALDH1A1MAPTMEN1
SCHEMBL608794 0.86 CTSK (0.36) RAB9ALMNAALDH1A1MAPTMEN1
SCHEMBL608357 0.85 ASAH2 (0.38) ALDH1A1MEN1KMT2ATGM2SMN1; SMN2
SCHEMBL606613 0.85 CCKBR (0.40) TGM2HDAC3HDAC1
SCHEMBL607640 0.84 ALDH1A1 (0.35) RAB9ALMNAALDH1A1MAPTMEN1
SCHEMBL606547 0.84 KMT2A (0.42) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL607151 0.84 KISS1R (0.34) ALBKISS1R

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
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2011-06-16 US claimed
EP-1660507-B9 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-03-24 EP claimed
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US claimed
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP claimed
EP-1660507-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-31 EP claimed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US claimed
WO-2005021558-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-03-10 WO claimed
US-9233115-B2 Proteasome inhibitors and methods of using the same MILLENNIUM PHARMACEUTICALS INC. (US) 2016-01-12 US disclosed
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same CEPHALON, INC. (US) 2014-03-27 US disclosed
US-8546608-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2013-10-01 US disclosed
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2012-02-16 US disclosed
US-7915236-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-03-29 US disclosed
EP-1660507-B9 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-03-24 EP disclosed
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US disclosed
US-7576206-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-08-18 US disclosed
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP disclosed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 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 (5 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-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME PSMB11, PSMB5, PSMB6 KDM1A 1361/4885RAB9A 3687/4885LMNA 770/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 KDM1A 1361/4885RAB9A 3687/4885LMNA 770/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 KDM1A 1361/4885RAB9A 3687/4885LMNA 770/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 KDM1A 1361/4885RAB9A 3687/4885LMNA 770/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 KDM1A 1361/4885RAB9A 3687/4885LMNA 770/4885

“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.