SCHEMBL8259028

SCHEMBL8259028

COc1ccccc1N1CCN(Cc2c(Br)c(=O)n(-c3cccc(Cl)c3)n2C)CC1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
MAPT P10636 1/20 0.55
HTR7 P34969 3/20 0.53
POLB P06746 1/20 0.51
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
DRD4 P21917 2/20 0.49
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1B P35368 2/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
HTR1A P08908 1/20 0.47

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
SCHEMBL8254859 0.90 DRD2 (0.55) KDM4EMAPTHTR7DRD2DRD3
SCHEMBL4471028 0.90 HTR1A (0.57) KDM4EHTR7POLBDRD2DRD3
SCHEMBL8259187 0.87 HTR7 (0.54) KDM4EMAPTHTR7DRD2ADRA1A
SCHEMBL8254850 0.85 HTR7 (0.53) KDM4EMAPTHTR7POLBADRA1A
SCHEMBL4455998 0.84 HTR1A (0.53) KDM4EHTR7HTR1A
SCHEMBL4325206 0.82 HTR1A (0.57) KDM4EMAPTHTR7DRD2DRD3
SCHEMBL4326331 0.82 SMN1; SMN2 (0.52) KDM4EHTR7DRD2DRD3DRD4
SCHEMBL4328909 0.81 DRD2 (0.57) KDM4EMAPTHTR7DRD2DRD3
SCHEMBL4322181 0.80 MAPK1 (0.53) KDM4EMAPTHTR7DRD2DRD3
SCHEMBL4334921 0.79 KDM4E (0.58) KDM4EHTR7DRD2DRD3DRD4

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 3 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
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 KDM4E 3662/4885MAPT 731/4885HTR7 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.