SCHEMBL2042831

SCHEMBL2042831

CCCc1cc2nc(C)c(CC(=O)OC)c(O)n2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 7/20 0.38
GAA P10253 4/20 0.38
KDM5B Q9UGL1 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 6/20 0.36
TP53 P04637 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
TLR7 Q9NYK1 2/20 0.34

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
SCHEMBL2040225 0.87 MAPT (0.39) MAPTPOLBKDM4EGAAKDM5B
SCHEMBL470433 0.83 KDM4E (0.41) MAPTPOLBKDM4EGAAKDM5B
SCHEMBL470423 0.81 MAPT (0.41) MAPTPOLBKDM4EGAAKDM5B
SCHEMBL2054043 0.80 AURKA (0.47) MAPTPOLBKDM4EGAAKDM5B
SCHEMBL470323 0.78 MAPT (0.52) MAPTPOLBKDM4EGAAALDH1A1
SCHEMBL2043538 0.74 KDM4E (0.42) MAPTPOLBKDM4EGAAKDM5B
SCHEMBL2042378 0.73 ALDH1A1 (0.52) MAPTPOLBKDM4EGAAALDH1A1
SCHEMBL457202 0.73 DPP4 (0.52) MAPTPOLBKDM4ETSHRALDH1A1
SCHEMBL15475992 0.73 NPC1 (0.53) MAPTPOLBKDM4EGAAALDH1A1
SCHEMBL14698589 0.72 MAPT (0.49) MAPTPOLBKDM4ETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 EP disclosed
US-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-12-13 US disclosed
EP-2516008-A1 NOVEL ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-31 EP disclosed
WO-2011076765-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-30 WO 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-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPT 3089/4885POLB 134/4885KDM4E 2080/4885

“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.