SCHEMBL4318567

SCHEMBL4318567

CCc1c(Cl)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.54
POLB P06746 1/20 0.47
BCHE P06276 3/20 0.46
ALOX15 P16050 2/20 0.46
PTGS2 P35354 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 3/20 0.45
ADORA3 P0DMS8 1/20 0.45
TSHR P16473 4/20 0.44
NAPRT Q6XQN6 2/20 0.44
CYP1A2 P05177 2/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 2/20 0.41
NR1I2 O75469 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4321221 0.85 BCHE (0.45) FPR2POLBBCHEALOX15PTGS2
SCHEMBL8259595 0.84 FPR2 (0.41) FPR2ALDH1A1LMNATSHRTHRB
SCHEMBL23918250 0.83 FPR2 (0.44) FPR2POLBBCHEALOX15PTGS2
SCHEMBL4319898 0.83 BCHE (0.43) FPR2POLBBCHEALOX15PTGS2
SCHEMBL17035250 0.80 PTGS2 (0.63) FPR2POLBBCHEALOX15PTGS2
SCHEMBL9809088 0.79 FPR2 (0.47) FPR2POLBBCHEALOX15PTGS2
SCHEMBL29993 0.77 ALDH1A1 (0.64) POLBBCHEALOX15PTGS2ALDH1A1
SCHEMBL4332295 0.77 SMN1; SMN2 (0.53) BCHEALDH1A1SMN1; SMN2KDM4E
SCHEMBL4320070 0.77 ALDH1A1 (0.56) POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL9809094 0.76 FPR2 (0.45) FPR2POLBBCHEALOX15PTGS2

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 FPR2 902/4885POLB 4059/4885BCHE 1608/4885

“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.