SCHEMBL4332946

SCHEMBL4332946

CNCc1c(Br)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
PTGS2 P35354 2/20 0.45
BCHE P06276 3/20 0.43
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
FPR2 P25090 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 0.85 PTGS2 (0.49) MAPTPTGS2BCHEALOX15ALDH1A1
SCHEMBL4325939 0.83 MAPT (0.51) MAPTPTGS2BCHEALOX15ALDH1A1
SCHEMBL4329244 0.82 MAPT (0.44) MAPTPTGS2BCHEALOX15ALDH1A1
SCHEMBL23907004 0.81 MAPT (0.50) MAPTPTGS2BCHEALOX15ALDH1A1
SCHEMBL13913866 0.81 MAPT (0.53) MAPTPTGS2BCHEALOX15ALDH1A1
SCHEMBL4327188 0.81 PTGS2 (0.51) MAPTPTGS2BCHEALDH1A1KDM4E
SCHEMBL4339501 0.81 PTGS2 (0.48) MAPTPTGS2BCHEALOX15ALDH1A1
SCHEMBL4324918 0.79 MAPT (0.48) MAPTPTGS2BCHEALOX15ALDH1A1
SCHEMBL4331052 0.78 ALDH1A1 (0.44) MAPTPTGS2ALOX15ALDH1A1KDM4E
SCHEMBL4329689 0.76 MAPT (0.48) MAPTPTGS2ALDH1A1LMNASMN1; SMN2

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 MAPT 731/4885PTGS2 2640/4885BCHE 1608/4885

“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.