SCHEMBL3590342

SCHEMBL3590342

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
PIM1 P11309 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RET P07949 1/20 0.40
PTGER2 P43116 1/20 0.40
ALOX5 P09917 1/20 0.39
BTK Q06187 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AR P10275 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3593326 0.85 KDM4E (0.38) PARP1PIM1KDM4EERCC1FEN1
SCHEMBL14390904 0.81 PARP1 (0.53) PARP1PIM1KDM4EMAPTALDH1A1
SCHEMBL3592589 0.75 KDM4E (0.67) PARP1PIM1KDM4EMAPTALDH1A1
SCHEMBL3588895 0.68 KDM4E (0.45) PARP1PIM1KDM4EMAPTALDH1A1
SCHEMBL4352374 0.68 CDC7 (0.52) PARP1PIM1KDM4EERCC1FEN1
SCHEMBL27867870 0.65 KMT2A (0.46) PARP1PIM1KDM4EERCC1FEN1
SCHEMBL2196669 0.65 CDC7 (0.46) PARP1PIM1KDM4EERCC1FEN1
SCHEMBL6028810 0.64 BTK (0.50) PARP1PIM1KDM4EERCC1FEN1
SCHEMBL5073998 0.64 PARP1 (0.49) PARP1PIM1KDM4EERCC1FEN1
SCHEMBL1549501 0.63 PARP1 (0.62) PARP1PIM1KDM4EMAPTALDH1A1

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 6 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
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 PARP1 211/4885PIM1 40/4885KDM4E 1075/4885

“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.