SCHEMBL4322181

SCHEMBL4322181

COc1ccccc1N1CCN(Cc2c(Cl)c(=O)n(-c3ccc(F)c(Cl)c3)n2C)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
HTR7 P34969 6/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BCL2A1 Q16548 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL8260355 0.91 ADRA1D (0.46) KDM4EMAPTDRD2DRD4HRH2
SCHEMBL4328909 0.89 DRD2 (0.57) MAPK1KDM4EMAPTKMT2ADRD2
SCHEMBL4325206 0.87 HTR1A (0.57) MAPK1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL4332560 0.87 HTR7 (0.53) MAPK1KDM4EMAPTKMT2AALDH1A1
SCHEMBL13913809 0.84 HTR7 (0.56) MAPK1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL4332933 0.84 MAPK1 (0.49) MAPK1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL4318684 0.84 MAPT (0.51) MAPK1SMN1; SMN2KDM4EMAPTDRD2
SCHEMBL4321301 0.84 MAPK1 (0.47) MAPK1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL4334558 0.83 ALDH1A1 (0.51) SMN1; SMN2KDM4EKMT2AALDH1A1DRD4
SCHEMBL4331760 0.82 ADRA1D (0.55) KDM4EMAPTDRD2DRD4HRH2

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 5 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
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP 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 MAPK1 1007/4885SMN1; SMN2 1220/4885KDM4E 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.