SCHEMBL3211526

SCHEMBL3211526

CN(C)Cc1cc[c]c(C(N)=O)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.35
PARP2 Q9UGN5 3/20 0.35
PARP3 Q9Y6F1 2/20 0.35
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL3315095 0.84 HPGD (0.37) PARP1PARP2
SCHEMBL4261549 0.80
SCHEMBL3197756 0.80 CCR1 (0.36)
SCHEMBL7013628 0.77 HRH3 (0.34) PARP1PARP2
SCHEMBL2792337 0.75 NCF1 (0.32) PARP1
SCHEMBL3313834 0.74 HRH3 (0.45) PARP1PARP2PARP3
SCHEMBL3320937 0.74 RAB9A (0.36) PARP1
SCHEMBL2792018 0.73 AOC3 (0.34)
SCHEMBL3114993 0.72 PARP1 (0.43) PARP1
SCHEMBL3220368 0.72 HTR7 (0.44)

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B PARP1 24/4885PARP2 26/4885PARP3 180/4885

“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.