SCHEMBL3069788

SCHEMBL3069788

CC1(C)NCCN(C2CCCCC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD11B1 P28845 9/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
BRCA1 P38398 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36

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
SCHEMBL3093245 0.74 PDE7A (0.41) ALDH1A1KDM4EHSD11B1MAPTKMT2A
SCHEMBL18122735 0.72 LMNA (0.41) HSD11B1LMNAMEN1MAPTBRCA1
SCHEMBL9202125 0.71 KDM4E (0.39) ALDH1A1KDM4EHSD11B1KMT2AOPRM1
SCHEMBL19188762 0.71 ALDH1A1 (0.39) ALDH1A1KDM4EHSD11B1LMNAMAPT
SCHEMBL2169246 0.71 LMNA (0.37) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL2169384 0.71 LMNA (0.37) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL2169142 0.71 LMNA (0.37) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL1583741 0.69 POLB (0.39) ALDH1A1KDM4EHSD11B1LMNAMAPT
SCHEMBL16059800 0.69 LMNA (0.43) ALDH1A1KDM4ELMNAMAPT
SCHEMBL1583135 0.69 POLB (0.39) ALDH1A1KDM4EHSD11B1LMNAMAPT

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
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
EP-2220073-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-08-25 EP disclosed
WO-2009063244-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-05-22 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-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 ALDH1A1 325/4885KDM4E 2780/4885HPGD 947/4885

“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.