SCHEMBL3526669

SCHEMBL3526669

CC(C)c1c(CBr)n(C)n(-c2ccccc2)c1=O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
ADORA3 P0DMS8 1/20 0.65
PTGS2 P35354 4/20 0.61
NR1I2 O75469 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
POLB P06746 1/20 0.54
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11287540 0.85 LMNA (0.65) LMNAADORA3PTGS2NR1I2CYP3A4
SCHEMBL3527994 0.81 LMNA (0.60) LMNAADORA3PTGS2NR1I2CYP3A4
SCHEMBL4326241 0.80 SMN1; SMN2 (0.55) LMNAADORA3PTGS2CYP2D6TSHR
SCHEMBL4325939 0.80 MAPT (0.51) LMNAADORA3PTGS2NR1I2CYP3A4
Propyphenazone SCHEMBL23393 0.79 LMNA (1.00) LMNAADORA3PTGS2CYP2D6POLB
SCHEMBL4321221 0.78 BCHE (0.45) LMNAADORA3PTGS2NR1I2CYP3A4
SCHEMBL4325598 0.78 BCHE (0.45) LMNAADORA3PTGS2NR1I2CYP3A4
Propyphenazone SCHEMBL7929540 0.78 LMNA (0.97) LMNAADORA3PTGS2CYP2D6POLB
SCHEMBL4326513 0.77 POLB (0.44) LMNAADORA3PTGS2NR1I2CYP3A4
SCHEMBL3527014 0.76 PTGS2 (0.55) LMNAADORA3PTGS2NR1I2CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 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-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP 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-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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 (2 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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 LMNA 3846/4885ADORA3 2619/4885PTGS2 999/4885
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A LMNA 4231/4885ADORA3 101/4885PTGS2 2640/4885

“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.