SCHEMBL2931810

SCHEMBL2931810

Cc1ccc(C(=O)NC[C@H](NC(=O)c2cc3ccccc3cn2)C(=O)NCCC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
CNR1 P21554 1/20 0.43
MCHR1 Q99705 1/20 0.43
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
NFKB1 P19838 2/20 0.41
PSMB5 P28074 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
GCG P01275 1/20 0.41
GRM5 P41594 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2931806 0.85 HDAC3 (0.40) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL2930534 0.85 GRN (0.53) NPC1RAB9ASMN1; SMN2CNR1PSMB5
SCHEMBL2935265 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2CNR1NFKB1
SCHEMBL2927699 0.85 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HDAC1CNR1
SCHEMBL2931864 0.84 KMT2A (0.57) NPC1RAB9ASMN1; SMN2CNR1PSMB5
SCHEMBL2933907 0.84 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HDAC3HDAC1
SCHEMBL2934007 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HDAC3HDAC1
SCHEMBL2932543 0.84 PSMB5 (0.53) HDAC3HDAC1HDAC2NFKB1PSMB5
SCHEMBL2927824 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2CNR1CTSS
SCHEMBL2935514 0.82 POLB (0.48) NPC1RAB9ASMN1; SMN2HDAC3HDAC1

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 NPC1 2169/4885RAB9A 3665/4885SMN1; SMN2 1069/4885
US-20090075936-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 NPC1 2169/4885RAB9A 3665/4885SMN1; SMN2 1069/4885

“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.