SCHEMBL4339501

SCHEMBL4339501

Cc1ccc(NCc2c(Br)c(=O)n(-c3ccccc3)n2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
FPR2 P25090 3/20 0.47
ALDH1A1 P00352 5/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 4/20 0.45
GAA P10253 4/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
BCHE P06276 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL4326250 0.92 PTGS2 (0.49) PTGS2FPR2ALDH1A1MAPTGAA
SCHEMBL4329689 0.84 MAPT (0.48) PTGS2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4332946 0.81 MAPT (0.48) PTGS2FPR2ALDH1A1MAPTGAA
SCHEMBL4327188 0.80 PTGS2 (0.51) PTGS2FPR2ALDH1A1MAPTGAA
SCHEMBL4322365 0.79 MAPT (0.46) FPR2ALDH1A1MAPTGAAHTT
SCHEMBL4331052 0.77 ALDH1A1 (0.44) PTGS2FPR2ALDH1A1MAPTGAA
SCHEMBL4325939 0.76 MAPT (0.51) PTGS2ALDH1A1MAPTGAAHTT
SCHEMBL4329244 0.75 MAPT (0.44) PTGS2ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL23907026 0.75 ALDH1A1 (0.40) PTGS2FPR2ALDH1A1MAPTHTT
SCHEMBL23907004 0.75 MAPT (0.50) PTGS2ALDH1A1MAPTGAAHTT

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 PTGS2 2640/4885FPR2 902/4885ALDH1A1 1785/4885

“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.