SCHEMBL2931806

SCHEMBL2931806

Cc1ccc(C(=O)NC[C@H](NC(=O)c2cc3ccccc3cn2)C(=O)N[CH]CC(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MCHR1 Q99705 1/20 0.40
GCG P01275 1/20 0.38
CNR1 P21554 2/20 0.38
PARP15 Q460N3 1/20 0.37
MTOR P42345 1/20 0.36
NFKB1 P19838 1/20 0.36
PSMB5 P28074 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 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
SCHEMBL2930530 0.85 GRN (0.52) CNR1PSMB5KMT2AMEN1NPC1
SCHEMBL2935262 0.85 EGLN1 (0.46) CNR1NFKB1PSMB5NFKB2RELA
SCHEMBL2927696 0.85 CTSA (0.44) PARP15NFKB1PSMB5NFKB2RELA
SCHEMBL2931810 0.85 NPC1 (0.45) HDAC3HDAC1HDAC2MCHR1GCG
SCHEMBL2931860 0.85 KMT2A (0.53) PSMB5KMT2AMEN1KDM4E
SCHEMBL2933903 0.85 KDM4E (0.46) HDAC3HDAC1HDAC2MCHR1GCG
SCHEMBL2934004 0.84 CTSK (0.45) HDAC3HDAC1HDAC2MCHR1NFKB1
SCHEMBL2927821 0.84 KMO (0.38) HDAC1CNR1PARP15NFKB1PSMB5
SCHEMBL2935509 0.82 SMN1; SMN2 (0.46) HDAC3HDAC1HDAC2NFKB1PSMB5
SCHEMBL2929285 0.82 CNR2 (0.40) CNR1PSMB5KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP claimed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US claimed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 US claimed
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US disclosed
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP disclosed
US-20090075936-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-03-19 US disclosed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US disclosed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 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 (2 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-20060189806-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 HDAC3 809/4885HDAC1 235/4885HDAC2 494/4885
US-20090075936-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 HDAC3 809/4885HDAC1 235/4885HDAC2 494/4885

“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.