SCHEMBL6404013

SCHEMBL6404013

CC(C)(C)[CH]Cc1nnc(-c2ccccc2)o1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
NOTUM Q6P988 2/20 0.57
LMNA P02545 2/20 0.57
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
NPC1 O15118 4/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
KMT2A Q03164 3/20 0.52
POLB P06746 5/20 0.52
TP53 P04637 2/20 0.52
ATM Q13315 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAPT P10636 2/20 0.49
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL6405140 0.88 ALDH1A1 (0.51) ALDH1A1NOTUMLMNARAB9ASMN1; SMN2
SCHEMBL6602485 0.84 TSHR (0.63) LMNARAB9ASMN1; SMN2NPC1HPGD
SCHEMBL6605684 0.81 NPC1 (0.47) ALDH1A1NOTUMRAB9ASMN1; SMN2NPC1
SCHEMBL9961014 0.79 NOTUM (0.61) ALDH1A1NOTUMLMNARAB9ASMN1; SMN2
SCHEMBL19798382 0.79 ALDH1A1 (0.61) ALDH1A1NOTUMLMNARAB9ASMN1; SMN2
SCHEMBL6408205 0.79 ALDH1A1 (0.56) ALDH1A1NOTUMLMNARAB9ASMN1; SMN2
SCHEMBL8235977 0.77 ALDH1A1 (0.67) ALDH1A1NOTUMLMNARAB9ASMN1; SMN2
SCHEMBL17153204 0.77 NOTUM (0.62) ALDH1A1NOTUMLMNARAB9ASMN1; SMN2
SCHEMBL6404017 0.77 ALDH1A1 (0.57) ALDH1A1NOTUMLMNARAB9ASMN1; SMN2
SCHEMBL19343385 0.76 RAB9A (0.81) ALDH1A1NOTUMLMNARAB9ASMN1; 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 1 patent. 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

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 ALDH1A1 2900/4885NOTUM 1001/4885LMNA 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.