SCHEMBL20997122

SCHEMBL20997122

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADRB2 P07550 2/20 0.32
▸ ADRB1 P08588 2/20 0.32
▸ POLB P06746 1/20 0.32

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 0.85 ALOX15 (0.36) ALOX15SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL23059840 0.82 ALOX15 (0.41) ALOX15SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL20997156 0.82 HDAC3 (0.39) ALDH1A1KMT2A
SCHEMBL15980869 0.82 ALDH1A1 (0.46) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL20997127 0.81 MEN1 (0.46) HTTALDH1A1MEN1KMT2AADRB2
SCHEMBL20997242 0.81 SMN1; SMN2 (0.34) ALOX15SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL15980868 0.78 ALDH1A1 (0.43) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL19576056 0.75 ALOX15 (0.39) ALOX15SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL25444575 0.74 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MEN1TSHRKMT2A
SCHEMBL25443809 0.74 KMT2A (0.44) ALOX15SMN1; SMN2ALDH1A1MAPTMEN1

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 ALOX15 2923/4885SMN1; SMN2 2593/4885HTT 2750/4885
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT ALOX15 2923/4885SMN1; SMN2 2593/4885HTT 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.

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