SCHEMBL417371

SCHEMBL417371

NC(=O)c1csc(NC(=O)c2ccc(CN3CCOCC3)o2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DHFR P00374 1/20 0.46
EGFR P00533 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LMNA P02545 1/20 0.43
ROCK2 O75116 1/20 0.41
ALK Q9UM73 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PRKD3 O94806 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4136038 0.76 HTT (0.75) HTTGAAKDM4ENPC1RAB9A
SCHEMBL1118802 0.72 HRH3 (0.61) KDM4EDHFREGFRTBK1SMN1; SMN2
SCHEMBL13627729 0.72 HTT (0.69) HTTGAAKDM4ENPC1RAB9A
SCHEMBL15650902 0.71 HRH3 (0.57) GAADHFREGFRTBK1SMN1; SMN2
SCHEMBL13256170 0.71 HTT (0.47) HTTGAAKDM4ENPC1RAB9A
SCHEMBL15650319 0.69 HRH3 (0.58) GAADHFREGFRTBK1RAB9A
SCHEMBL1243301 0.69 HTT (1.00) HTTGAAKDM4ENPC1RAB9A
SCHEMBL13256171 0.68 HTT (0.42) HTTGAAKDM4ENPC1RAB9A
SCHEMBL1286688 0.68 HTT (0.75) HTTGAAKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL3500894 0.68 HTT (0.97) HTTGAAKDM4ENPC1RAB9A

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 HTT 2842/4885GAA 4792/4885KDM4E 1244/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB HTT 2842/4885GAA 4792/4885KDM4E 1244/4885

“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.