SCHEMBL4330883

SCHEMBL4330883

Cn1c(CN2CCc3ccccc3C2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GLA P06280 1/20 0.52
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MAPT P10636 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL4324271 0.80 ALDH1A1 (0.48) TSHRSMN1; SMN2GLAALDH1A1KDM4E
SCHEMBL8259826 0.80 MAPT (0.44) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8257304 0.79 SIGMAR1 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1ALOX15
Hydrochloric Acid SCHEMBL4319725 0.78 SIGMAR1 (0.43) SMN1; SMN2ALDH1A1ALOX15MAPT
SCHEMBL4319479 0.77 MAPT (0.44) SMN1; SMN2ALDH1A1ALOX15MAPT
SCHEMBL4318131 0.76 DRD2 (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4328079 0.75 DRD2 (0.43) KMT2AALDH1A1GAAMAPTDRD3
SCHEMBL4326331 0.75 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1KDM4EHTTHTR1A
SCHEMBL4329727 0.75 ALDH1A1 (0.48) TSHRSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL27692169 0.75 L3MBTL1 (0.44) TSHRSMN1; SMN2MEN1KMT2AALDH1A1

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 4 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
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 TSHR 240/4885SMN1; SMN2 1220/4885GLA 4351/4885

“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.