SCHEMBL6404491

SCHEMBL6404491

CC(C)(C)[C@H](O)Cn1cnc(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
PRNP P04156 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGDS O60760 1/20 0.43
CYP2E1 P05181 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2A6 P11509 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL6407470 1.00 LMNA (0.47) LMNAMAPTTDP1PRNPRXFP1
SCHEMBL6402795 0.86 LMNA (0.44) LMNAMAPTTDP1PRNPRXFP1
SCHEMBL5631188 0.83 CTSS (0.43) LMNAMAPTTDP1MEN1MAPK1
SCHEMBL29340888 0.80 HPGDS (0.48) LMNAMAPTTDP1PRNPRXFP1
SCHEMBL6404497 0.79 EGFR (0.37) LMNAMAPTMEN1MAPK1KMT2A
SCHEMBL6602311 0.77 SLC5A2 (0.42) LMNAMAPTTDP1PRNPRXFP1
SCHEMBL6405784 0.77 SLC5A2 (0.42) LMNAMAPTTDP1PRNPRXFP1
SCHEMBL5717581 0.76 MAPT (0.46) LMNAMAPTTDP1PRNPRXFP1
SCHEMBL2910946 0.76 CYP2E1 (0.67) LMNAMAPTTDP1PRNPRXFP1
SCHEMBL9996105 0.74 LMNA (0.51) LMNAMAPTTDP1PRNPRXFP1

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 LMNA 736/4885MAPT 3643/4885TDP1 3921/4885

“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.