SCHEMBL19703757

SCHEMBL19703757

CCCNC(=O)CCCCN1C(=O)CC(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 4/20 0.37
FAAH O00519 3/20 0.37
OPRD1 P41143 1/20 0.36

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
SCHEMBL19704167 0.99 SMN1; SMN2 (0.50) SMN1; SMN2HTTHPGDHDAC3HDAC4
SCHEMBL18712561 0.99 SMN1; SMN2 (0.50) SMN1; SMN2HTTHPGDHDAC3HDAC4
SCHEMBL19703628 0.96 SMN1; SMN2 (0.48) SMN1; SMN2HTTHPGDHDAC3HDAC4
SCHEMBL19703758 0.96 SMN1; SMN2 (0.43) SMN1; SMN2HTTHPGDHDAC3HDAC4
SCHEMBL21892048 0.92 SMN1; SMN2 (0.49) SMN1; SMN2HTTHPGDHDAC3HDAC4
SCHEMBL18704703 0.92 SMN1; SMN2 (0.49) SMN1; SMN2HTTHPGDHDAC3HDAC4
SCHEMBL19704262 0.92 HPGD (0.46) SMN1; SMN2HTTHPGDHDAC3HDAC4
SCHEMBL19704265 0.91 HPGD (0.48) SMN1; SMN2HTTHPGDHDAC3HDAC4
SCHEMBL17553928 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HTTHPGDHDAC3HDAC4
SCHEMBL19703810 0.91 HPGD (0.48) SMN1; SMN2HTTHPGDHDAC3HDAC4

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 2500/4885HTT 2720/4885HPGD 3861/4885

“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.