SCHEMBL4322932

SCHEMBL4322932

CCOc1ccc(N2CCN(Cc3c(Cl)c(=O)n(-c4ccccc4)n3C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.48
ALDH1A1 P00352 5/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.44
MAPK1 P28482 3/20 0.43
PKM P14618 2/20 0.43
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
DRD3 P35462 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
LMNA P02545 1/20 0.43

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 0.89 ALDH1A1 (0.56) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL4331547 0.89 POLB (0.50) POLBMAPTALDH1A1HTTTSHR
SCHEMBL4325798 0.87 DRD4 (0.56) MAPTALDH1A1HTTKDM4EHTR1A
SCHEMBL8260671 0.86 ALDH1A1 (0.50) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL4325976 0.86 ALDH1A1 (0.50) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL4324909 0.85 SMO (0.45) MAPTALDH1A1TSHRKDM4ETP53
SCHEMBL4321933 0.85 DRD4 (0.55) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL4330079 0.85 ALDH1A1 (0.49) POLBMAPTALDH1A1HTTTSHR
SCHEMBL4332386 0.85 SMO (0.54) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL4322665 0.84 DRD2 (0.60) ALDH1A1HTTTSHRKDM4EHTR1A

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 POLB 4059/4885MAPT 731/4885ALDH1A1 1785/4885

“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.