SCHEMBL417662

SCHEMBL417662

NC(=O)c1csc(NC(=O)C2CCOC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
GLS O94925 1/20 0.44
RAB9A P51151 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PIP5K1C O60331 4/20 0.41
PIK3CA P42336 4/20 0.41
MAPK10 P53779 3/20 0.41
MAPK8 P45983 2/20 0.41
MAPK14 Q16539 2/20 0.41
PIP5K1B O14986 1/20 0.41
PIP5K1A Q99755 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
GRM5 P41594 4/20 0.41
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL31507494 0.73 L3MBTL1 (0.40) GRM5
SCHEMBL21066336 0.72 L3MBTL1 (0.54) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL8834236 0.71 L3MBTL1 (0.63) SMN1; SMN2RAB9AATAD2NPC1ALDH1A1
SCHEMBL689416 0.70 L3MBTL1 (0.72) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL7136797 0.70 L3MBTL1 (0.49) SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL26979851 0.69 HTR2B (0.38) SMN1; SMN2ALDH1A1
SCHEMBL7868159 0.68 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AATAD2GRM5ALDH1A1
SCHEMBL14543340 0.68 HTR2B (0.45) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL27792064 0.68 L3MBTL1 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL16397272 0.67 ACHE (0.54) SMN1; SMN2RAB9ANPC1POLBMAPT

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-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB SMN1; SMN2 3959/4885GLS 4192/4885RAB9A 3958/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB SMN1; SMN2 3959/4885GLS 4192/4885RAB9A 3958/4885

“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.