SCHEMBL4329240

SCHEMBL4329240

COc1c(CBr)n(C)n(C2CCCCC2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
SMURF1 Q9HCE7 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PARP1 P09874 4/20 0.32
PARP2 Q9UGN5 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL4327972 0.98 KDM4E (0.33) KDM4ESMURF1CA1CA2CA4
SCHEMBL4322668 0.80 PARP1 (0.36) SMURF1MAPK1PARP1PARP2PARP3
SCHEMBL4324545 0.79 CNR2 (0.35) SMURF1ALDH1A1MAPTMAPK1PARP1
SCHEMBL4318489 0.78 SMURF1 (0.42) KDM4ESMURF1ALDH1A1HTTSMN1; SMN2
SCHEMBL4326610 0.77 CNR2 (0.33) SMURF1ALDH1A1MAPTMAPK1PARP1
SCHEMBL4325911 0.76 SMURF1 (0.41) KDM4ESMURF1ALDH1A1HTTSMN1; SMN2
SCHEMBL4332440 0.66 TSHR (0.35) KDM4EALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL4323167 0.65 SMURF1 (0.41) SMURF1MAPK1PARP1PARP2
SCHEMBL4325586 0.65 CNR2 (0.36) ALDH1A1OPRM1GSK3AGSK3BCYP2C19
SCHEMBL4324410 0.63 SMURF1 (0.39) SMURF1MAPK1PARP1PARP2

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 KDM4E 3662/4885SMURF1 4757/4885CA1 3460/4885

“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.