SCHEMBL2933907

SCHEMBL2933907

Cc1ccc(C(=O)NC[C@H](NC(=O)c2cnc3ccccc3c2)C(=O)NCCC(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MITF O75030 1/20 0.47
XBP1 P17861 1/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
CCR1 P32246 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TNKS O95271 1/20 0.45
MCHR1 Q99705 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GCG P01275 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41

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 0.86 GRN (0.53) NPC1RAB9ACCR1SMN1; SMN2HTR1A
SCHEMBL2933903 0.85 KDM4E (0.46) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL2931810 0.84 NPC1 (0.45) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL2934862 0.84 PSMB5 (0.51) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL2934007 0.83 NPC1 (0.46) NPC1RAB9AKDM4EHDAC3HDAC1
SCHEMBL2930928 0.82 NPC1 (0.53) NPC1RAB9AHDAC1SMN1; SMN2
SCHEMBL2931864 0.80 KMT2A (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2926141 0.80 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL2933217 0.80 RAB9A (0.44) NPC1RAB9ACCR1SMN1; SMN2MEN1
SCHEMBL2930877 0.79 CCR1 (0.54) KDM4ECCR1HDAC3HDAC1HDAC2

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 3665/4885KDM4E 1640/4885
US-20090075936-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 NPC1 2169/4885RAB9A 3665/4885KDM4E 1640/4885

“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.