SCHEMBL4052572

SCHEMBL4052572

N#Cc1c(O)c(-c2cccs2)n[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 5/20 0.50
RXFP1 Q9HBX9 5/20 0.50
NPSR1 Q6W5P4 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
PIM1 P11309 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HPGD P15428 2/20 0.45
PSMD14 O00487 1/20 0.45
ACMSD Q8TDX5 3/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
BLM P54132 1/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL4049320 0.75 MEN1 (0.46) MEN1KMT2AACMSDADORA2AADORA1
SCHEMBL30051073 0.71 PRNP (0.55) PRNPRXFP1NPSR1KDM4EMAPT
SCHEMBL13721415 0.70 ATM (0.59) NPSR1KDM4EMAPTALDH1A1MEN1
SCHEMBL24088115 0.69 PRNP (0.67) PRNPRXFP1NPSR1KDM4EMAPT
SCHEMBL3848844 0.69 KMT2A (0.54) NPSR1KDM4EMAPTALDH1A1KMT2A
SCHEMBL3849962 0.69 ERCC1 (0.41) ALDH1A1MEN1KMT2AERCC1FEN1
SCHEMBL1456158 0.69 KMT2A (0.53) PRNPRXFP1NPSR1KDM4EMAPT
SCHEMBL8553615 0.68 ADORA1 (0.60) NPSR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4060407 0.68 MEN1 (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL14611730 0.67 HSD17B10 (0.51) PRNPRXFP1NPSR1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758905-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2009-04-29 EP claimed
WO-2009032179-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 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-20090060867-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI POLR2E, POLR2H, POLI PRNP 1034/4885RXFP1 4856/4885NPSR1 4322/4885

“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.