SCHEMBL4417641

SCHEMBL4417641

N#Cc1cccnc1N1CCN(C(=O)c2c(O)c3ccccc3[nH]c2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.53
PARP2 Q9UGN5 9/20 0.53
PARP3 Q9Y6F1 9/20 0.53
KDM4E B2RXH2 5/20 0.53
TNKS O95271 1/20 0.53
PARP6 Q2NL67 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC2 Q92769 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
DRD4 P21917 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
PANK3 Q9H999 1/20 0.45

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
SCHEMBL6235112 0.79 KDM4E (0.61) PARP1PARP2PARP3KDM4ETNKS
SCHEMBL5901321 0.73 KDM4E (0.68) KDM4EALDH1A1TDP1HDAC2CA12
SCHEMBL4417699 0.72 KDM4E (0.58) KDM4EALDH1A1POLBMAPT
SCHEMBL29678394 0.72 KDM4E (0.65) PARP1PARP2PARP3KDM4EALDH1A1
SCHEMBL13862949 0.72 KDM4E (0.65) PARP1PARP2PARP3KDM4EALDH1A1
SCHEMBL94920 0.71 KDM4E (0.64) PARP1PARP2PARP3KDM4ETNKS
SCHEMBL3576933 0.70 SLC6A7 (0.65) PARP1PARP2PARP3KDM4ETNKS
SCHEMBL14566007 0.70 KDM4E (0.62) KDM4EALDH1A1TDP1HDAC2CA12
SCHEMBL22022388 0.69 PARP1 (1.00) PARP1PARP2PARP3TNKSPARP6
SCHEMBL30859697 0.69 PARP1 (1.00) PARP1PARP2PARP3TNKSPARP6

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
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 PARP1 1448/4885PARP2 1815/4885PARP3 712/4885

“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.