SCHEMBL3133476

SCHEMBL3133476

COC(=O)CCCCCNC(=O)c1ccccn1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.90
ALDH1A1 P00352 2/20 0.90
HDAC3 O15379 2/20 0.70
HDAC1 Q13547 2/20 0.70
HDAC4 P56524 1/20 0.70
HDAC7 Q8WUI4 1/20 0.70
HDAC2 Q92769 1/20 0.70
HDAC10 Q969S8 1/20 0.70
HDAC11 Q96DB2 1/20 0.70
HDAC8 Q9BY41 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
HDAC9 Q9UKV0 1/20 0.70
HDAC5 Q9UQL6 1/20 0.70
KMT2A Q03164 6/20 0.62
MEN1 O00255 3/20 0.59
ALOX15 P16050 1/20 0.57
NAMPT P43490 1/20 0.57
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
KDM4C Q9H3R0 1/20 0.54

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
SCHEMBL8293662 1.00 SMN1; SMN2 (0.90) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC4
SCHEMBL10102476 0.85 HDAC3 (0.75) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC4
SCHEMBL13299860 0.85 HDAC3 (0.75) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC4
Hydrochloric Acid SCHEMBL3128502 0.83 HDAC3 (0.73) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC4
SCHEMBL24795619 0.83 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC4
SCHEMBL14786047 0.83 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC4
SCHEMBL9095557 0.83 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC4
SCHEMBL4306915 0.83 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC4
SCHEMBL9941474 0.83 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC4
SCHEMBL20340796 0.83 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010065461-A1 TRI-PEPTIDE INHIBITORS OF SERINE ELASTASES ACCUTHERA, INC. (US) 2010-06-10 WO disclosed
WO-2010065461-A1 TRI-PEPTIDE INHIBITORS OF SERINE ELASTASES ACCUTHERA, INC. (US) 2010-06-10 WO disclosed
US-20090156509-A1 Tri-peptide Inhibitors of Serine Elastases ACCUTHERA, INC. (US) 2009-06-18 US disclosed
US-20090156509-A1 Tri-peptide Inhibitors of Serine Elastases ACCUTHERA, INC. (US) 2009-06-18 US disclosed
US-20090156509-A1 Tri-peptide Inhibitors of Serine Elastases ACCUTHERA, INC. (US) 2009-06-18 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-20090156509-A1 Tri-peptide Inhibitors of Serine Elastases SCTR, CTRC, SERPINB1 SMN1; SMN2 2130/4885ALDH1A1 4437/4885HDAC3 216/4885

“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.