SCHEMBL17739953

SCHEMBL17739953

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
IDO1 P14902 1/20 0.38
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
EPHX1 P07099 1/20 0.37
CRBN Q96SW2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.35

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
SCHEMBL13759224 1.00 TDP1 (0.43) TDP1MEN1KMT2AGAACA12
SCHEMBL28656359 1.00 TDP1 (0.43) TDP1MEN1KMT2AGAACA12
SCHEMBL31395584 1.00 TDP1 (0.43) TDP1MEN1KMT2AGAACA12
SCHEMBL21071149 1.00 TDP1 (0.43) TDP1MEN1KMT2AGAACA12
SCHEMBL15432864 1.00 TDP1 (0.43) TDP1MEN1KMT2AGAACA12
SCHEMBL13612357 0.98 TDP1 (0.44) TDP1MEN1KMT2AGAACA12
SCHEMBL31290234 0.96 TDP1 (0.40) TDP1MEN1KMT2AGAACA12
SCHEMBL21070826 0.95 CA12 (0.39) TDP1MEN1KMT2AGAACA12
SCHEMBL20904591 0.92 PLK1 (0.38) TDP1MEN1KMT2AGAACA12
SCHEMBL29808480 0.92 TDP1 (0.38) TDP1MEN1KMT2AGAACA12

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
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed
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
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 TDP1 1273/4885MEN1 1913/4885KMT2A 2505/4885

“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.