SCHEMBL4329508

SCHEMBL4329508

COc1ccc(-n2c(=O)c(Cl)c(CN3CCN(c4c(Cl)cncc4Cl)CC3)n2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
DRD2 P14416 3/20 0.39
LMNA P02545 3/20 0.39

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
SCHEMBL4318732 0.89 LSS (0.39) ALDH1A1MAPTMAPK1GAASMN1; SMN2
SCHEMBL4320317 0.88 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL4334396 0.88 MAPT (0.41) ALDH1A1MAPTTSHRHSD17B10SMN1; SMN2
SCHEMBL4330719 0.85 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1DRD2DRD4
SCHEMBL8261032 0.83 ALDH1A1 (0.50) ALDH1A1MAPTTDP1GLAMAPK1
SCHEMBL4332560 0.81 HTR7 (0.53) ALDH1A1MAPTMAPK1KMT2AHTT
SCHEMBL4331959 0.80 ALDH1A1 (0.45) ALDH1A1MAPTTDP1GLAMAPK1
SCHEMBL8259562 0.79 MAPT (0.46) ALDH1A1MAPTMAPK1KMT2ATSHR
SCHEMBL8259809 0.79 HSD17B10 (0.41) ALDH1A1MAPTTDP1GLAMAPK1
SCHEMBL8259032 0.78 ADRA1D (0.56) ALDH1A1KMT2AHTTTSHRNPC1

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 ALDH1A1 1785/4885MAPT 731/4885TDP1 1243/4885

“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.