SCHEMBL17732186

SCHEMBL17732186

CC(C)(C)OC(=O)NCCCCCCNC(=O)C=CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.61
▸ MEN1 O00255 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ MAOA P21397 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ CA12 O43570 5/20 0.50
▸ CA1 P00915 5/20 0.50
▸ CA2 P00918 5/20 0.50
▸ CA9 Q16790 5/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ TAAR1 Q96RJ0 3/20 0.44
▸ ZDHHC2 Q9UIJ5 2/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ ZDHHC20 Q5W0Z9 2/20 0.40

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
SCHEMBL17732185 1.00 TDP1 (0.61) TDP1MEN1GAAKMT2AMAOA
SCHEMBL17742318 0.95 MEN1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL12845098 0.85 MEN1 (0.44) TDP1MEN1GAAKMT2AMAOA
SCHEMBL30875928 0.84 ALDH1A1 (0.46) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7438984 0.83 TDP1 (0.59) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8411840 0.83 TDP1 (0.59) TDP1MEN1GAAKMT2AMAOA
SCHEMBL134329 0.83 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5162656 0.83 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL343629 0.83 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL137629 0.83 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA

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 4 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-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
EP-3215519-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE Novartis AG (CH) 2017-09-13 — — EP 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 1913/4885GAA 691/4885

“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.

Send feedback