SCHEMBL13613681

SCHEMBL13613681

COC(=O)c1c(C)cc([N+](=O)[O-])cc1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
HTT P42858 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.40
CYP3A4 P08684 3/20 0.40
ACHE P22303 1/20 0.40
GPR35 Q9HC97 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL27484194 0.85 MEN1 (0.50) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL2026817 0.84 MEN1 (0.46) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL29278868 0.81 HTT (0.39) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5628051 0.79 ALDH1A1 (0.56) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL9694074 0.78 CYP3A4 (0.49) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL15822385 0.78 ALDH1A1 (0.46) GAAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL29400731 0.77 CYP3A4 (0.45) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL16790432 0.77 CYP3A4 (0.45) GAAMAPTALDH1A1POLBCYP3A4
SCHEMBL1104456 0.77 CYP3A4 (0.45) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL28921267 0.76 ALDH1A1 (0.42) GAAHTTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 GAA 4626/4885HTT 2037/4885SMN1; SMN2 4028/4885

“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.