SCHEMBL20997242

SCHEMBL20997242

CC(C)OC(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL19576058 0.82 ALOX15 (0.36) SMN1; SMN2ALOX15HTTLMNAMEN1
SCHEMBL20997122 0.81 ALOX15 (0.35) SMN1; SMN2ALOX15HTTLMNAMEN1
SCHEMBL20996959 0.81 TDP1 (0.47) HTTMEN1KMT2AALDH1A1GAA
SCHEMBL21532929 0.79 GAA (0.40) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL18272883 0.75 MEN1 (0.34) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL20997395 0.75 HPGD (0.37) SMN1; SMN2HTTLMNAMEN1MAPT
SCHEMBL22349837 0.75 ALDH1A1 (0.37) ALDH1A1
SCHEMBL13130765 0.73 ALOX15 (0.35) SMN1; SMN2ALOX15HTTLMNAMEN1
SCHEMBL13143835 0.73 MEN1 (0.54) HTTMEN1KMT2AALDH1A1GAA
SCHEMBL21850104 0.73 RECQL (0.31) —

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-10464969-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2019-11-05 — — US disclosed
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-05-16 — — 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 (2 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-10464969-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase RNGTT, RNASE1, RNMT SMN1; SMN2 2593/4885ALOX15 2923/4885HTT 2750/4885
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT SMN1; SMN2 2593/4885ALOX15 2923/4885HTT 2750/4885

“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