SCHEMBL19704366

SCHEMBL19704366

CCCNC(=O)CO/N=C(/CC)CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
FAAH O00519 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSD P07339 1/20 0.35
CNR1 P21554 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL19704172 0.93 MCL1 (0.40) MCL1L3MBTL1FAAHLMNASMN1; SMN2
SCHEMBL19704263 0.81 FAAH (0.54) CASP2L3MBTL1FAAHLMNASMN1; SMN2
SCHEMBL17740185 0.80 FAAH (0.43) MCL1L3MBTL1FAAHLMNASMN1; SMN2
SCHEMBL19704168 0.79 CASP2 (0.38) CASP2MCL1L3MBTL1FAAHTSHR
SCHEMBL19703617 0.77 FAAH (0.44) CASP2FAAHTSHRMEN1KMT2A
SCHEMBL19704170 0.77 FAAH (0.44) CASP2FAAHTSHRMEN1KMT2A
SCHEMBL19703622 0.76 FAAH (0.46) CASP2FAAHTSHRCNR1
SCHEMBL19703971 0.72 CASP2 (0.58) CASP2L3MBTL1FAAHCNR1
SCHEMBL840681 0.70
SCHEMBL19704261 0.69 FAAH (0.60) CASP2L3MBTL1FAAHLMNASMN1; SMN2

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 CASP2 2689/4885MCL1 674/4885L3MBTL1 1981/4885

“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.