SCHEMBL4332496

SCHEMBL4332496

CC(Br)c1c(Cl)c(=O)n(-c2ccc(OC(F)(F)F)cc2)n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.47
MCHR1 Q99705 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
LIPE Q05469 6/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.33
PTGS2 P35354 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
MAPT P10636 2/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL4318895 0.81 KMT2A (0.43) NPBWR1MCHR1L3MBTL1ALDH1A1MEN1
SCHEMBL4319779 0.80 NPBWR1 (0.47) NPBWR1MCHR1L3MBTL1POLBLIPE
SCHEMBL4326943 0.79 NPBWR1 (0.41) NPBWR1MCHR1L3MBTL1POLBLIPE
SCHEMBL4319895 0.78 LMNA (0.50) POLBALDH1A1PTGS2MAPTMEN1
SCHEMBL5266592 0.77 NPBWR1 (0.40) NPBWR1MCHR1L3MBTL1POLBLIPE
SCHEMBL4328496 0.75 GAA (0.39) NPBWR1MCHR1ALDH1A1MAPTKMT2A
SCHEMBL8257268 0.73 TP53 (0.38) NPBWR1MCHR1POLBALDH1A1MAPT
SCHEMBL4339066 0.73 OPRM1 (0.38) NPBWR1MCHR1LIPEATM
SCHEMBL4332432 0.72 CYP2C9 (0.39) NPBWR1MCHR1MAPTCYP2C9
SCHEMBL4323056 0.72 OPRM1 (0.38) NPBWR1MCHR1LIPEHSD11B1

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 1 patent. 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

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 NPBWR1 353/4885MCHR1 255/4885L3MBTL1 3579/4885

“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.