SCHEMBL4123215

SCHEMBL4123215

CC1(n2nc(-c3cccs3)c(O)c(C#N)c2=O)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.42
PRNP P04156 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
RXFP1 Q9HBX9 3/20 0.42
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
HSD17B10 Q99714 3/20 0.36
ADORA1 P30542 3/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
HPGD P15428 5/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4129468 0.85 MEN1 (0.39) KDM4EALDH1A1MAPTPRNPNPSR1
SCHEMBL4137561 0.76 MAPK8 (0.38) ADORA1ADORA2AACMSD
SCHEMBL4053471 0.72 ADORA1 (0.41) KDM4EALDH1A1MAPTPRNPNPSR1
SCHEMBL4143728 0.72 ADORA1 (0.41) KDM4EALDH1A1MAPTPRNPNPSR1
SCHEMBL13905626 0.71 ADORA1 (0.38) KDM4EALDH1A1MAPTPRNPNPSR1
SCHEMBL4125999 0.70 USP2 (0.45) KDM4EALDH1A1MAPTPRNPNPSR1
SCHEMBL4131828 0.68 ADORA2A (0.41) KDM4EALDH1A1MAPTPRNPNPSR1
SCHEMBL4143858 0.67 ADORA2A (0.40) KDM4EALDH1A1MAPTPRNPNPSR1
SCHEMBL4052572 0.66 PRNP (0.50) KDM4EALDH1A1MAPTPRNPNPSR1
SCHEMBL4123867 0.65 MAPK8 (0.37) KDM4EALDH1A1MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 3262/4885ALDH1A1 1965/4885MAPT 3873/4885

“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.