SCHEMBL4332912

SCHEMBL4332912

CN(Cc1ccccc1)Cc1c(Br)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
NR1I2 O75469 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
BCHE P06276 7/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
MAOB P27338 3/20 0.42
PTGS2 P35354 1/20 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
SCHEMBL4324918 0.86 MAPT (0.48) LMNATSHRNR1I2CYP3A4CYP2D6
SCHEMBL4325734 0.82 LMNA (0.47) LMNATSHRNR1I2CYP3A4CYP2D6
SCHEMBL4339655 0.81 LMNA (0.45) LMNATSHRNR1I2CYP3A4CYP2D6
SCHEMBL4327273 0.81 LMNA (0.75) LMNATSHRNR1I2CYP3A4CYP2D6
SCHEMBL4325939 0.78 MAPT (0.51) LMNATSHRNR1I2CYP3A4CYP2D6
SCHEMBL23907004 0.77 MAPT (0.50) LMNATSHRNR1I2CYP3A4CYP2D6
SCHEMBL13913866 0.77 MAPT (0.53) LMNATSHRNR1I2CYP3A4CYP2D6
SCHEMBL4332946 0.74 MAPT (0.48) LMNATSHRCYP2D6BCHEKDM4E
SCHEMBL13925115 0.74 MAPT (0.40) LMNATSHRNR1I2CYP3A4CYP2D6
SCHEMBL4325987 0.74 BCHE (0.45) LMNATSHRCYP2C19BCHEMAPT

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 LMNA 4231/4885TSHR 240/4885NR1I2 139/4885

“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.