SCHEMBL4326331

SCHEMBL4326331

Cn1c(CN2CCN(c3ccccc3Cl)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
PLA2G1B P04054 1/20 0.48
RAB9A P51151 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
HTR1A P08908 2/20 0.47
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
HTR7 P34969 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NOX4 Q9NPH5 1/20 0.44

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
SCHEMBL4324271 0.89 ALDH1A1 (0.48) SMN1; SMN2KDM4EALDH1A1DRD2DRD4
SCHEMBL4332404 0.89 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1HTR1AADRA1D
SCHEMBL4332484 0.88 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL4326335 0.87 DRD4 (0.53) SMN1; SMN2KDM4EALDH1A1HTR1AHTR7
SCHEMBL4325592 0.87 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL4471028 0.87 HTR1A (0.57) KDM4EALDH1A1HTR1AADRA1DADRA1A
SCHEMBL4334275 0.86 KDM4E (0.46) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL4455998 0.86 HTR1A (0.53) KDM4EALDH1A1HTR1AHTR7
SCHEMBL4328173 0.85 ALDH1A1 (0.47) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL13914010 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A

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 SMN1; SMN2 1220/4885KDM4E 3662/4885ALDH1A1 1785/4885

“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.