SCHEMBL2931864

SCHEMBL2931864

Cc1ccc(C(=O)NC[C@H](NC(=O)c2ccccn2)C(=O)NCCC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 4/20 0.57
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.48
PSMB5 P28074 2/20 0.44
PSMB8 P28062 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
EPHX2 P34913 1/20 0.44
CNR1 P21554 1/20 0.43
GRIA1 P42261 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL2927699 0.88 NPC1 (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2935514 0.87 POLB (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2935265 0.86 NPC1 (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2930534 0.84 GRN (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2935257 0.84 CNR2 (0.54) NPC1RAB9ASMN1; SMN2PSMB5PSMB8
SCHEMBL2931810 0.84 NPC1 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2931860 0.84 KMT2A (0.53) KMT2AMEN1TP53PSMB5MAPT
SCHEMBL2934007 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2927824 0.83 NPC1 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2930834 0.83 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KMT2A 2205/4885MEN1 2309/4885NPC1 2169/4885

“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.