SCHEMBL6403644

SCHEMBL6403644

CCCCC(OC(N)=O)[C@@H](O)C(=O)Nc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX12 P18054 1/20 0.46
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.42
ANPEP P15144 1/20 0.41
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41
NPC1 O15118 2/20 0.41
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
EHMT2 Q96KQ7 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
SCHEMBL6403638 1.00 CTSK (0.48) CTSKHTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL6402737 0.79 HTT (0.50) CTSKHTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL6616469 0.79 HTT (0.50) CTSKHTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL6402731 0.79 HTT (0.50) CTSKHTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL6406963 0.79 HTT (0.50) CTSKHTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL6406973 0.79 HTT (0.50) CTSKHTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL6462222 0.73 HTT (0.57) CTSKHTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL6404507 0.73 HTT (0.46) CTSKHTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL6406303 0.73 HTT (0.46) CTSKHTTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL7418597 0.72 POLB (0.55) HTTSMN1; SMN2ALDH1A1ALOX12POLB

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 CTSK 1/4885HTT 3860/4885SMN1; 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.