SCHEMBL4332404

SCHEMBL4332404

Cn1c(CN2CCN(c3ccccc3F)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
TSHR P16473 3/20 0.48
POLB P06746 1/20 0.48
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
DRD2 P14416 2/20 0.47
SLC2A1 P11166 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRM2 Q14416 1/20 0.44
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
HTR1A P08908 1/20 0.43
LMNA P02545 1/20 0.43
MPI P34949 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL4326331 0.89 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1KDM4EDRD4DRD3
SCHEMBL4324271 0.87 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB
SCHEMBL4318788 0.87 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB
SCHEMBL4463803 0.85 GAA (0.48) SMN1; SMN2ALDH1A1KDM4EDRD4DRD3
SCHEMBL4471028 0.85 HTR1A (0.57) ALDH1A1KDM4EPOLBDRD4DRD3
SCHEMBL4329727 0.82 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB
SCHEMBL4341070 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBDRD4DRD2
SCHEMBL4329231 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4EPOLBDRD4
SCHEMBL4326335 0.81 DRD4 (0.53) SMN1; SMN2ALDH1A1KDM4EPOLBDRD4
SCHEMBL4464690 0.81 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB

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 1 patent. 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

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 1220/4885ALDH1A1 1785/4885KDM4E 3662/4885

“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.