SCHEMBL4331052

SCHEMBL4331052

Cn1c(CNc2ccccc2C(=O)O)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
MAPT P10636 3/20 0.43
PTGS2 P35354 1/20 0.43
PLK1 P53350 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 1/20 0.41
AGTR1 P30556 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 2/20 0.40
FPR2 P25090 2/20 0.39
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4323175 0.90 KDM4E (0.45) ALDH1A1L3MBTL1POLBMAPTPTGS2
SCHEMBL4326250 0.81 PTGS2 (0.49) ALDH1A1MAPTPTGS2KDM4ETSHR
SCHEMBL4332946 0.78 MAPT (0.48) ALDH1A1POLBMAPTPTGS2KDM4E
SCHEMBL4327188 0.77 PTGS2 (0.51) ALDH1A1L3MBTL1POLBMAPTPTGS2
SCHEMBL4339501 0.77 PTGS2 (0.48) ALDH1A1POLBMAPTPTGS2KDM4E
SCHEMBL4325939 0.73 MAPT (0.51) ALDH1A1POLBMAPTPTGS2KDM4E
SCHEMBL4329244 0.73 MAPT (0.44) ALDH1A1POLBMAPTPTGS2KDM4E
SCHEMBL4329689 0.72 MAPT (0.48) ALDH1A1HPGDL3MBTL1MAPTPTGS2
SCHEMBL23907004 0.72 MAPT (0.50) ALDH1A1POLBMAPTPTGS2KDM4E
SCHEMBL13913866 0.72 MAPT (0.53) ALDH1A1POLBMAPTPTGS2KDM4E

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 claimed

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 1785/4885HPGD 1645/4885HSD17B10 2056/4885

“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.