SCHEMBL6408790

SCHEMBL6408790

CC(C)(C)C(OC(=O)Oc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.37
RAB9A P51151 2/20 0.36
GSK3B P49841 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
NPC1 O15118 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GUSB P08236 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6406161 1.00 MAPT (0.37) MAPTRAB9AGSK3BPDCD1CD274
SCHEMBL6408786 1.00 MAPT (0.37) MAPTRAB9AGSK3BPDCD1CD274
SCHEMBL6402677 0.92 MAPT (0.41) MAPTRAB9AGSK3BPDCD1CD274
SCHEMBL6402682 0.92 MAPT (0.41) MAPTRAB9AGSK3BPDCD1CD274
SCHEMBL6403481 0.86 MAPT (0.38) MAPTRAB9AGSK3BPDCD1CD274
SCHEMBL6403478 0.86 MAPT (0.38) MAPTRAB9AGSK3BPDCD1CD274
SCHEMBL6403759 0.85 MAPT (0.41) MAPTRAB9AGSK3BPDCD1CD274
SCHEMBL6404227 0.85 MAPT (0.41) MAPTRAB9AGSK3BPDCD1CD274
SCHEMBL6403764 0.85 MAPT (0.41) MAPTRAB9AGSK3BPDCD1CD274
SCHEMBL6403127 0.83 MAPT (0.41) MAPTRAB9AGSK3BPDCD1CD274

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 2 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
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 MAPT 3643/4885RAB9A 1009/4885GSK3B 584/4885

“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.