SCHEMBL419446

SCHEMBL419446

NC(=O)c1csc(NC(=O)c2ccncc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
SMN1; SMN2 Q16637 5/20 0.60
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
TAS1R2 Q8TE23 1/20 0.60
PARP1 P09874 1/20 0.59
MAPK1 P28482 4/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
STAT3 P40763 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 1/20 0.47
KDM4A O75164 2/20 0.47
KDM4B O94953 2/20 0.47
KDM5B Q9UGL1 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
MAP2K1 Q02750 1/20 0.47

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
SCHEMBL6310313 0.87 NPC1 (0.64) MAPTSMN1; SMN2PARP1LMNATSHR
SCHEMBL20662871 0.79 MAPT (1.00) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL21066336 0.76 L3MBTL1 (0.54) MAPTSMN1; SMN2MAPK1LMNARAB9A
SCHEMBL704723 0.75 SMN1; SMN2 (1.00) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL689416 0.74 L3MBTL1 (0.72) MAPTSMN1; SMN2MAPK1LMNAHSD17B10
SCHEMBL7136797 0.74 L3MBTL1 (0.49) MAPTSMN1; SMN2MAPK1HSD17B10RAB9A
SCHEMBL17107144 0.74 PARP1 (1.00) PARP1MAPK1LMNATSHRHSD17B10
SCHEMBL3603304 0.74 NPC1 (0.68) MAPTSMN1; SMN2PARP1LMNATSHR
SCHEMBL20662872 0.73 MAPT (0.64) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL12249044 0.73 PARP1 (0.78) MAPTSMN1; SMN2PARP1MAPK1LMNA

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 MAPT 4818/4885SMN1; SMN2 3959/4885TAS1R3 3511/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB MAPT 4818/4885SMN1; SMN2 3959/4885TAS1R3 3511/4885

“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.