SCHEMBL17740191

SCHEMBL17740191

CCCCCNC(=O)CCON

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.63
NAAA Q02083 1/20 0.59
FAAH O00519 4/20 0.51
SLC6A5 Q9Y345 2/20 0.50
HPGD P15428 1/20 0.49
DNM1 Q05193 1/20 0.49
EPHX1 P07099 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX2 P34913 2/20 0.47
DPP7 Q9UHL4 1/20 0.47

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
SCHEMBL19703877 0.91 CASP2 (0.61) CASP2NAAAFAAHSLC6A5DNM1
SCHEMBL17739996 0.89 CASP2 (0.59) CASP2NAAAFAAHSLC6A5DNM1
SCHEMBL17740092 0.88 CASP2 (0.62) CASP2NAAAFAAHSLC6A5DNM1
SCHEMBL10171347 0.88 CASP2 (0.62) CASP2NAAAFAAHSLC6A5DNM1
SCHEMBL10171418 0.88 CASP2 (0.62) CASP2NAAAFAAHSLC6A5DNM1
SCHEMBL13225164 0.87 CASP2 (0.56) CASP2NAAAFAAHSLC6A5DNM1
SCHEMBL1562241 0.86 CASP2 (0.44) CASP2NAAAFAAHDNM1EPHX1
SCHEMBL765576 0.86 FAAH (0.62) CASP2NAAAFAAHSLC6A5DNM1
SCHEMBL10170347 0.86 FAAH (0.62) CASP2NAAAFAAHSLC6A5DNM1
SCHEMBL19041084 0.85 TSHR (0.56) CASP2NAAAFAAHSLC6A5DNM1

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 2 patents. 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
WO-2016071856-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS AG (CH) 2016-05-12 WO 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 2689/4885NAAA 1609/4885FAAH 3895/4885

“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.