SCHEMBL6403481

SCHEMBL6403481

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
CETP P11597 1/20 0.36
GSK3B P49841 2/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
LMNA P02545 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MGLL Q99685 1/20 0.35
HTR2A P28223 1/20 0.35
GUSB P08236 1/20 0.35
GAA P10253 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6403478 1.00 MAPT (0.38) MAPTALDH1A1KDM4ECETPGSK3B
SCHEMBL6408786 0.86 MAPT (0.37) MAPTALDH1A1KDM4EGSK3BPDCD1
SCHEMBL6406161 0.86 MAPT (0.37) MAPTALDH1A1KDM4EGSK3BPDCD1
SCHEMBL6408790 0.86 MAPT (0.37) MAPTALDH1A1KDM4EGSK3BPDCD1
SCHEMBL6404227 0.86 MAPT (0.41) MAPTALDH1A1KDM4EGSK3BPDCD1
SCHEMBL6403759 0.86 MAPT (0.41) MAPTALDH1A1KDM4EGSK3BPDCD1
SCHEMBL6403764 0.86 MAPT (0.41) MAPTALDH1A1KDM4EGSK3BPDCD1
SCHEMBL6450386 0.84 CETP (0.38) MAPTALDH1A1CETPLMNANPC1
SCHEMBL6402677 0.83 MAPT (0.41) MAPTALDH1A1KDM4EGSK3BPDCD1
SCHEMBL6402682 0.83 MAPT (0.41) MAPTALDH1A1KDM4EGSK3BPDCD1

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 3643/4885ALDH1A1 2900/4885KDM4E 258/4885

“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.