SCHEMBL20997395

SCHEMBL20997395

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 4/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL18272799 0.84 HPGD (0.41) HPGDKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL18272883 0.82 MEN1 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4782817 0.82 HPGD (0.47) HPGDKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL25036156 0.79 SIGMAR1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL20996959 0.77 TDP1 (0.47) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL22280402 0.77 MEN1 (0.45) HPGDKDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL18272880 0.77 TP53BP1 (0.42) HPGDKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL24766205 0.76 EGLN1 (0.39) HPGDKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL24765242 0.76 EGLN1 (0.39) HPGDKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL21891278 0.76 MCL1 (0.45) HSD17B10ALDH1A1TSHRLMNAMEN1

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 HPGD 3966/4885KDM4E 4049/4885HSD17B10 4202/4885
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT HPGD 3966/4885KDM4E 4049/4885HSD17B10 4202/4885

“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.

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