SCHEMBL606006

SCHEMBL606006

COc1ccccc1/C=C/C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N[CH]CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
NFE2L2 Q16236 2/20 0.39
KDM4E B2RXH2 5/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
NCOA1 Q15788 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 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
SCHEMBL606007 0.90 ALDH1A1 (0.43) ALDH1A1LMNAHPGDMEN1ALOX12
SCHEMBL609402 0.89 NOS3 (0.34) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL3168316 0.85 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMEN1ALOX12
SCHEMBL609404 0.83 LMNA (0.38) ALDH1A1LMNAMAPTGAANOS3
SCHEMBL608976 0.83 LMNA (0.39) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL608309 0.83 HDAC3 (0.40) ALDH1A1LMNAMAPTGAADRD2
SCHEMBL608819 0.83 TAS1R3 (0.45) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL605409 0.82 ALDH1A1 (0.43) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL605664 0.81 APEX1 (0.31)
SCHEMBL607088 0.81

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 13 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
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP 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 ALDH1A1 3935/4885LMNA 770/4885HPGD 3107/4885
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 ALDH1A1 3935/4885LMNA 770/4885HPGD 3107/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 ALDH1A1 3935/4885LMNA 770/4885HPGD 3107/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 ALDH1A1 3935/4885LMNA 770/4885HPGD 3107/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 ALDH1A1 3935/4885LMNA 770/4885HPGD 3107/4885

“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.