SCHEMBL3592589

SCHEMBL3592589

CC(C)c1cc(-c2cccs2)[nH]c(=O)c1C#N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
PIM1 P11309 4/20 0.67
RXFP1 Q9HBX9 5/20 0.48
MAPT P10636 4/20 0.48
PRNP P04156 4/20 0.48
NPSR1 Q6W5P4 4/20 0.48
ALDH1A1 P00352 2/20 0.48
PARP1 P09874 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
BLM P54132 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSMD14 O00487 1/20 0.39

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
SCHEMBL14390904 0.80 PARP1 (0.53) KDM4EPIM1RXFP1MAPTALDH1A1
SCHEMBL3590342 0.75 PARP1 (0.46) KDM4EPIM1MAPTALDH1A1PARP1
SCHEMBL3591219 0.75 KDM4E (0.73) KDM4EPIM1RXFP1MAPTPRNP
SCHEMBL3582527 0.72 PIM1 (0.71) KDM4EPIM1RXFP1MAPTPRNP
SCHEMBL28602629 0.71 KDM4E (0.72) KDM4EPIM1RXFP1MAPTPRNP
SCHEMBL3032908 0.71 PIM1 (0.80) KDM4EPIM1RXFP1MAPTALDH1A1
SCHEMBL23920044 0.70 KDM4E (0.39) KDM4ERXFP1ALDH1A1KMT2AGAA
SCHEMBL13277489 0.70 KDM4E (0.54) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL14478809 0.70 KDM4E (0.73) KDM4EPIM1RXFP1MAPTPRNP
SCHEMBL7256598 0.70 PIM1 (0.58) KDM4EPIM1RXFP1MAPTPRNP

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
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US disclosed
EP-2019827-A1 INTEGRASE INHIBITORS 3 Avexa Limited (AU) 2009-02-04 EP disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 KDM4E 1075/4885PIM1 40/4885RXFP1 4789/4885

“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.