SCHEMBL5892835

SCHEMBL5892835

O=C(NO)C1CNCCN1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
PRCP P42785 1/20 0.30

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
SCHEMBL1991927 0.81 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4PRCP
SCHEMBL1993835 0.81 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4PRCP
SCHEMBL14500252 0.81 KDM4E (0.31) CHRNB2CHRNA7CHRNA4
SCHEMBL2415851 0.81 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4PRCP
SCHEMBL3652033 0.78 L3MBTL1 (0.50) HDAC8CHRNB2CHRNA7CHRNA4PRCP
SCHEMBL1900804 0.78 L3MBTL1 (0.50) HDAC8CHRNB2CHRNA7CHRNA4PRCP
SCHEMBL7558532 0.78 L3MBTL1 (0.50) HDAC8CHRNB2CHRNA7CHRNA4PRCP
SCHEMBL7349680 0.78 CHRNB2 (0.32) CHRNB2CHRNA7CHRNA4PRCP
SCHEMBL19996549 0.78 PRCP (0.45) CHRNB2CHRNA7CHRNA4PRCP
SCHEMBL27272783 0.77 SLC6A1 (0.33)

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-7030242-B2 Selective inhibition of aggrecanase in osteoarthritis treatment PFIZER INC (US) 2006-04-18 US disclosed
US-20050227997-A1 1-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-4-aminoacetyl-3-methyl-piperazine-2-carboxylic acid hydroxyamide; potent enzyme inhibitor of metalloproteinases, for treating joint disease, prevent cartilage destruction NOE MARK C 2005-10-13 US disclosed
EP-1081137-A1 Selective inhibitors of aggrecanase in osteoarthritis treatment Pfizer Products Inc. (US) 2001-03-07 EP 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-20050227997-A1 1-[4-(2-methyl-benzyloxy)-benzenesulfonyl]-4-aminoacetyl-3-methyl-piperazine-2-carboxylic acid hydroxyamide; potent enzyme inhibitor of metalloproteinases, for treating joint disease, prevent cartilage destruction MMP3, MMP1, MMP13 HDAC8 297/4885HDAC6 155/4885CHRNB2 3372/4885

“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.