SCHEMBL2934007

SCHEMBL2934007

Cc1ccc(C(=O)NC[C@H](NC(=O)c2ccc3ccccc3n2)C(=O)NCCC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HDAC1 Q13547 3/20 0.44
CTSK P43235 3/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 3/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
MCHR1 Q99705 1/20 0.42
SLC6A4 P31645 1/20 0.42
GFER P55789 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL2930534 0.88 GRN (0.53) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL2934004 0.85 CTSK (0.45) NPC1RAB9ASMN1; SMN2HDAC1CTSK
SCHEMBL2931810 0.84 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HDAC1CTSK
SCHEMBL2935257 0.84 CNR2 (0.54) NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL2931869 0.83 PSMB5 (0.53) HDAC1CTSKCTSLCTSBCTSS
SCHEMBL2931864 0.83 KMT2A (0.57) NPC1RAB9ASMN1; SMN2MAPTGFER
SCHEMBL2933907 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HDAC1ALDH1A1
SCHEMBL2935265 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2CTSBL3MBTL1
SCHEMBL2929287 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2CTSKCTSB
SCHEMBL2930834 0.80 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2HDAC1ALDH1A1

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 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.