SCHEMBL3919489

SCHEMBL3919489

C1CC[C](NCC2CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL17164865 0.73 KCNH3 (0.42) ALDH1A1
SCHEMBL19242855 0.70 PTGER4 (0.34) PTGER4TDP1
SCHEMBL9051706 0.69 CA2 (0.38)
SCHEMBL6987814 0.64 SAT1 (0.42) ALDH1A1TDP1ADH1BADH1CADH1A
SCHEMBL1828781 0.63
SCHEMBL273580 0.61
SCHEMBL5258503 0.61
SCHEMBL5259182 0.61
SCHEMBL10055002 0.60 CARM1 (0.57) ALDH1A1
SCHEMBL8054361 0.60 IDH1 (0.46) ALDH1A1ADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
CN-103420988-A Pyridinone and pyridazinone derivatives as inhibitors of poly(adp-ribose)polymerase (parp) ANGELETTI P IST RICHERCHE BIO 2013-12-04 CN disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
CN-101501006-A Pyridone and pyridazinone derivatives as poly (ADP-ribose) polymerase (PARP) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2009-08-05 CN disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 US disclosed
EP-2029551-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-03-04 EP disclosed
WO-2007138351-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 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-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 PTGER4 1898/4885ALDH1A1 278/4885TDP1 102/4885

“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.