SCHEMBL6404464

SCHEMBL6404464

CC(C)C(O)Cc1nnc(-c2ccccc2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 5/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
HDAC8 Q9BY41 2/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
POLB P06746 4/20 0.49
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
USP2 O75604 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL6605501 1.00 NOTUM (0.58) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL14706802 0.83 ALDH1A1 (0.61) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL6408332 0.83 NOTUM (0.57) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL6401709 0.83 NOTUM (0.57) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL957491 0.81 ALDH1A1 (0.57) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL6410167 0.77 NOTUM (0.53) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL6410037 0.77 NOTUM (0.53) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL6408265 0.77 NOTUM (0.53) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL8235977 0.74 ALDH1A1 (0.67) NOTUMALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL28582160 0.74 NOTUM (1.00) NOTUMALDH1A1LMNARAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ NOTUM 1001/4885ALDH1A1 2900/4885LMNA 736/4885

“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.