SCHEMBL19703744

SCHEMBL19703744

CC(C)NC(=O)NCCC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
ALDH1A1 P00352 3/20 0.40
SIGMAR1 Q99720 2/20 0.39
MLYCD O95822 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.35
EPHX2 P34913 2/20 0.34
TSHR P16473 2/20 0.34
CASR P41180 1/20 0.34
CCKBR P32239 1/20 0.34
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL19543467 0.82 SIGMAR1 (0.46) EPHX1SIGMAR1MLYCDSMN1; SMN2KDM4C
SCHEMBL2625567 0.78 EPHX1 (0.47) EPHX1ALDH1A1MEN1KMT2ALMNA
SCHEMBL20953587 0.78 EPHX1 (0.80) EPHX1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20017286 0.78 EPHX1 (0.52) EPHX1ALDH1A1MEN1KMT2ALMNA
SCHEMBL19703763 0.76 FAAH (0.49) EPHX1ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL19303878 0.76 SIGMAR1 (0.42) EPHX1SIGMAR1MLYCDKDM4C
SCHEMBL4577394 0.76 EPHX1 (0.59) EPHX1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13617058 0.76 SIGMAR1 (0.42) EPHX1SIGMAR1MLYCDKMT2AKDM4C
SCHEMBL4577399 0.76 EPHX1 (0.59) EPHX1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2625542 0.76 EPHX1 (0.70) EPHX1ALDH1A1MEN1KMT2ALMNA

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-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

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 EPHX1 4394/4885ALDH1A1 3212/4885SIGMAR1 2243/4885

“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.