SCHEMBL4319476

SCHEMBL4319476

Cc1cccc(N2CCN(Cc3c(Cl)c(=O)n(-c4ccccc4)n3C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KCNH2 Q12809 2/20 0.53
HTR7 P34969 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 2/20 0.48
HTR1A P08908 4/20 0.46
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL4329530 0.92 ALDH1A1 (0.51) ALDH1A1KCNH2HTR7SMN1; SMN2KDM4E
SCHEMBL4332839 0.91 HTR1A (0.55) ALDH1A1KCNH2HTR7KDM4EHTR1A
SCHEMBL4320070 0.90 ALDH1A1 (0.56) ALDH1A1HTR7SMN1; SMN2KDM4EDRD4
SCHEMBL4325976 0.89 ALDH1A1 (0.50) ALDH1A1HTR7SMN1; SMN2KDM4EDRD4
SCHEMBL4319837 0.88 DRD2 (0.59) ALDH1A1SMN1; SMN2KDM4EHTR1ADRD4
SCHEMBL4327923 0.88 ALDH1A1 (0.52) ALDH1A1HTR7SMN1; SMN2KDM4EHTR1A
SCHEMBL4326085 0.87 KCNH2 (0.53) ALDH1A1KCNH2HTR7SMN1; SMN2DRD4
SCHEMBL4319935 0.86 SMN1; SMN2 (0.53) ALDH1A1HTR7SMN1; SMN2HTR1ADRD4
SCHEMBL4319872 0.86 SMN1; SMN2 (0.53) ALDH1A1HTR7SMN1; SMN2HTR1ADRD4
SCHEMBL4325798 0.85 DRD4 (0.56) ALDH1A1HTR7SMN1; SMN2KDM4EHTR1A

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 ALDH1A1 1785/4885KCNH2 610/4885HTR7 97/4885

“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.