SCHEMBL4324545

SCHEMBL4324545

Cn1c(CBr)c(Cl)c(=O)n1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
SMURF1 Q9HCE7 8/20 0.33
PARP1 P09874 4/20 0.33
PARP2 Q9UGN5 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PARP3 Q9Y6F1 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
ADORA2A P29274 2/20 0.31
MAPK1 P28482 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
SCHEMBL4326610 0.98 CNR2 (0.33) CNR2SMURF1PARP1PARP2ALDH1A1
SCHEMBL4322668 0.83 PARP1 (0.36) SMURF1PARP1PARP2PARP3GSK3A
SCHEMBL4325586 0.82 CNR2 (0.36) CNR2ALDH1A1GSK3AGSK3B
SCHEMBL4329240 0.79 KDM4E (0.35) SMURF1PARP1PARP2ALDH1A1MAPT
SCHEMBL4327972 0.77 KDM4E (0.33) SMURF1PARP1PARP2ALDH1A1MAPT
SCHEMBL4334419 0.77 SMURF1 (0.43) SMURF1PARP1PARP2ALDH1A1LMNA
SCHEMBL4332648 0.75 SMURF1 (0.41) SMURF1PARP1PARP2ALDH1A1MAPT
SCHEMBL13913791 0.72 KDM4E (0.30) ALDH1A1MAPT
SCHEMBL4329525 0.71 KDM4E (0.46) ALDH1A1LMNA
SCHEMBL4319822 0.70 CYP3A4 (0.37) CNR2ALDH1A1LMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A CNR2 231/4885SMURF1 4757/4885PARP1 3649/4885

“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.