SCHEMBL17586015

SCHEMBL17586015

CC(=O)N1CCc2nc3sc(C(=O)Nc4ccccc4C)c(N)c3cc2C1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.74
MAPT P10636 12/20 0.72
TP53 P04637 8/20 0.61
POLB P06746 4/20 0.61
KMT2A Q03164 2/20 0.58
TDP1 Q9NUW8 1/20 0.56
ADORA2A P29274 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL17586018 0.88 SMN1; SMN2 (0.68) SMN1; SMN2MAPTTP53POLBKMT2A
SCHEMBL17585985 0.87 SMN1; SMN2 (0.84) SMN1; SMN2MAPTTP53POLBKMT2A
SCHEMBL17586009 0.84 MAPT (1.00) SMN1; SMN2MAPTTP53POLBTDP1
SCHEMBL17585984 0.84 MAPT (0.96) SMN1; SMN2MAPTTP53POLBTDP1
SCHEMBL17586003 0.81 MAPT (0.76) SMN1; SMN2MAPTTP53POLBKMT2A
SCHEMBL18537571 0.80 MAPT (0.78) SMN1; SMN2MAPTTP53POLBKMT2A
SCHEMBL426042 0.79 MAPT (0.82) SMN1; SMN2MAPTTP53POLBKMT2A
SCHEMBL431945 0.79 MAPT (0.77) SMN1; SMN2MAPTTP53KMT2ATDP1
SCHEMBL432146 0.79 ADORA2A (0.69) SMN1; SMN2MAPTTP53POLBKMT2A
SCHEMBL431764 0.78 MAPT (0.71) SMN1; SMN2MAPTTP53POLBKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160074373-A1 METHODS AND COMPOSITIONS FOR INHIBITING HUMAN COPPER TRAFFICKING PROTEINS ATOX1 AND CCS THE UNIVERSITY OF CHICAGO (US) 2016-03-17 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-20160074373-A1 METHODS AND COMPOSITIONS FOR INHIBITING HUMAN COPPER TRAFFICKING PROTEINS ATOX1 AND CCS CLINT1, QSOX1, ACOX1 SMN1; SMN2 1983/4885MAPT 3330/4885TP53 1476/4885

“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.