SCHEMBL6406973

SCHEMBL6406973

CCCCC(NC(=O)O)[C@@H](O)C(=O)Nc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSK P43235 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
ALOX12 P18054 1/20 0.47
EHMT2 Q96KQ7 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HDAC4 P56524 1/20 0.43
MEF2D Q14814 1/20 0.43
MME P08473 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL6402737 1.00 HTT (0.50) HTTSMN1; SMN2CTSKALDH1A1POLB
SCHEMBL6616469 1.00 HTT (0.50) HTTSMN1; SMN2CTSKALDH1A1POLB
SCHEMBL6406963 1.00 HTT (0.50) HTTSMN1; SMN2CTSKALDH1A1POLB
SCHEMBL6402731 1.00 HTT (0.50) HTTSMN1; SMN2CTSKALDH1A1POLB
SCHEMBL6404513 0.86 POLB (0.45) HTTSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL6406305 0.86 POLB (0.45) HTTSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL6403644 0.79 CTSK (0.48) HTTSMN1; SMN2CTSKALDH1A1POLB
SCHEMBL6403638 0.79 CTSK (0.48) HTTSMN1; SMN2CTSKALDH1A1POLB
SCHEMBL6607233 0.77 CTSK (0.71) HTTSMN1; SMN2CTSKALDH1A1ALOX12
SCHEMBL6604125 0.77 CTSK (0.71) HTTSMN1; SMN2CTSKALDH1A1ALOX12

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 HTT 3860/4885SMN1; SMN2 4636/4885CTSK 1/4885

“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.