SCHEMBL3073137

SCHEMBL3073137

O=C(O)N1CC(=O)N2CCCC[C@H]2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PARP1 P09874 2/20 0.39
PARP2 Q9UGN5 2/20 0.39
P2RX7 Q99572 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ABCB11 O95342 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRK1 P41145 1/20 0.35
BLM P54132 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL20522823 1.00 POLB (0.41) POLBGAAPARP1PARP2P2RX7
SCHEMBL28356118 1.00 POLB (0.41) POLBGAAPARP1PARP2P2RX7
SCHEMBL31622171 0.85 PARP1 (0.38) POLBGAAPARP1PARP2P2RX7
SCHEMBL18724905 0.85 NOTUM (0.39) POLBGAAPARP1PARP2P2RX7
SCHEMBL23227309 0.82 ALDH1A1 (0.39) POLBGAAPARP1PARP2P2RX7
SCHEMBL15998857 0.81 NOTUM (0.44) POLBGAAPARP1PARP2P2RX7
SCHEMBL3713173 0.81 P2RX7 (0.47) POLBGAAPARP1PARP2P2RX7
SCHEMBL29145778 0.81 VNN1 (0.43) POLBGAAKDM5AVNN1NPC1
SCHEMBL23227311 0.80 NOTUM (0.42) POLBGAAPARP1PARP2P2RX7
SCHEMBL29145744 0.80 VNN1 (0.42) POLBGAAKDM5AVNN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP disclosed
US-8268827-B2 Pyridazinone derivatives as PARP inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-09-18 US disclosed
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA S.R.L. (IT) 2010-10-14 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-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 POLB 29/4885GAA 2163/4885PARP1 1/4885

“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.