SCHEMBL6403652

SCHEMBL6403652

CC(C)(C)[C@@H](OC(=O)Oc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccnc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.42
DUSP3 P51452 1/20 0.42
BLM P54132 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 2/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6405134 1.00 PTGS2 (0.46) PTGS2MAPTSMN1; SMN2KDM4EHTT
SCHEMBL6410068 1.00 PTGS2 (0.46) PTGS2MAPTSMN1; SMN2KDM4EHTT
SCHEMBL6404227 0.89 MAPT (0.41) PTGS2MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL6403759 0.89 MAPT (0.41) PTGS2MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL6403764 0.89 MAPT (0.41) PTGS2MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL6402677 0.83 MAPT (0.41) MAPTSMN1; SMN2KDM4ETDP1ALDH1A1
SCHEMBL6402682 0.83 MAPT (0.41) MAPTSMN1; SMN2KDM4ETDP1ALDH1A1
SCHEMBL6403478 0.83 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL6403481 0.83 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL6408786 0.82 MAPT (0.37) MAPTSMN1; SMN2KDM4EPOLBL3MBTL1

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 PTGS2 2149/4885MAPT 3643/4885SMN1; SMN2 4636/4885

“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.