SCHEMBL4325976

SCHEMBL4325976

Cc1ccc(N2CCN(Cc3c(Cl)c(=O)n(-c4ccccc4)n3C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 4/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR7 P34969 1/20 0.47
HTT P42858 1/20 0.47
DRD4 P21917 2/20 0.46
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 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
SCHEMBL4320070 0.94 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL4325798 0.92 DRD4 (0.56) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL8260671 0.91 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL4332386 0.90 SMO (0.54) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL4330079 0.90 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL4321933 0.90 DRD4 (0.55) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL4329530 0.90 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPTHTR7
SCHEMBL4319476 0.89 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL4327923 0.88 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2MAPTHTR7
SCHEMBL4327163 0.88 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB

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 6 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
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 1785/4885KDM4E 3662/4885SMN1; SMN2 1220/4885

“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.