SCHEMBL3088353

SCHEMBL3088353

CC(C)(C)C1C2CCCCN2C(=O)CN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
GAA P10253 2/20 0.36
LIPE Q05469 1/20 0.33
POLB P06746 2/20 0.32
GFER P55789 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
KHK P50053 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20986811 0.71 RIPK1 (0.33) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23573048 0.71 RIPK1 (0.33)
SCHEMBL28594150 0.70 POLB (0.35) POLB
SCHEMBL2456121 0.69 RIPK1 (0.30)
SCHEMBL2330612 0.68 HPGD (0.38) HPGDGAAALDH1A1
SCHEMBL18783555 0.68 ALDH1A1 (0.33) POLBALDH1A1
SCHEMBL31518814 0.66 HPGD (0.58) HPGDGAALIPEPOLBALDH1A1
SCHEMBL75611 0.66 HPGD (0.58) HPGDGAALIPEPOLBALDH1A1
SCHEMBL9162112 0.66 HPGD (0.58) HPGDGAALIPEPOLBALDH1A1
SCHEMBL18979169 0.65 LMNA (0.34) POLB

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 HPGD 947/4885GAA 2163/4885LIPE 4298/4885

“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.