SCHEMBL4335745

SCHEMBL4335745

Cn1c(CBr)c(Cl)c(=O)n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.38
GSK3B P49841 2/20 0.38
GSK3A P49840 1/20 0.38
NPBWR1 P48145 3/20 0.37
MCHR1 Q99705 1/20 0.36
RAD51 Q06609 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
P2RX3 P56373 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
MPI P34949 1/20 0.33
PHOSPHO1 Q8TCT1 1/20 0.33
MIF P14174 1/20 0.33
PTPN1 P18031 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL23907024 0.84 FPR2 (0.39) FPR2GSK3BGSK3ANPBWR1MCHR1
SCHEMBL4325141 0.84 MEN1 (0.38) FPR2GSK3BGSK3ANPBWR1ALDH1A1
SCHEMBL4334363 0.84 FPR2 (0.41) FPR2GSK3BGSK3AALDH1A1MAPT
SCHEMBL4326943 0.83 NPBWR1 (0.41) NPBWR1MCHR1ALDH1A1
SCHEMBL4321221 0.81 BCHE (0.45) FPR2ALDH1A1LMNA
SCHEMBL4321369 0.80 FPR2 (0.49) FPR2GSK3BGSK3ANPBWR1MCHR1
SCHEMBL4326755 0.79 ALDH1A1 (0.46) NPBWR1MCHR1ALDH1A1NPC1LMNA
SCHEMBL23918421 0.76 MAPT (0.39) FPR2GSK3BGSK3ANPBWR1MCHR1
SCHEMBL5264271 0.73 MEN1 (0.36) FPR2GSK3BGSK3ANPBWR1ALDH1A1
SCHEMBL5266592 0.73 NPBWR1 (0.40) NPBWR1MCHR1ALDH1A1TRPV1

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 4 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
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 902/4885GSK3B 3913/4885GSK3A 3789/4885

“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.