SCHEMBL19703449

SCHEMBL19703449

CCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)CC(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
BCHE P06276 1/20 0.32
SLC9A3 P48764 4/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 3/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL19703635 1.00 SMN1; SMN2 (0.37) SMN1; SMN2HPGDHTTHDAC3HDAC4
SCHEMBL20414123 0.93 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHTTHDAC3HDAC4
SCHEMBL19703885 0.93 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHTTHDAC3HDAC4
SCHEMBL19703480 0.92 CASP2 (0.40) SMN1; SMN2HPGDHTTHDAC3HDAC4
SCHEMBL19703450 0.92 CASP2 (0.40) SMN1; SMN2HPGDHTTHDAC3HDAC4
SCHEMBL26700052 0.89 SMN1; SMN2 (0.34) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL23642757 0.86 ALDH1A1 (0.38) SMN1; SMN2HPGDHTTHDAC3HDAC4
SCHEMBL12972203 0.86 ALDH1A1 (0.38) SMN1; SMN2HPGDHTTHDAC3HDAC4
SCHEMBL20471030 0.86 HPGD (0.36) SMN1; SMN2HPGDHTTHDAC3HDAC4
SCHEMBL25801348 0.86 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTHDAC3HDAC4

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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT SMN1; SMN2 2500/4885HPGD 3861/4885HTT 2720/4885

“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.