SCHEMBL2026817

SCHEMBL2026817

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HTT P42858 4/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.41
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL13613681 0.84 GAA (0.42) MEN1KMT2AHTTLMNAGAA
SCHEMBL29278868 0.80 HTT (0.39) MEN1KMT2AHTTLMNAGAA
SCHEMBL22532078 0.78 NOTUM (0.36) MEN1KMT2AHTTLMNAMAPT
SCHEMBL2025783 0.77 SOS1 (0.35) MEN1KMT2ALMNAMAPT
SCHEMBL2023361 0.77 ABL1 (0.34) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL29571515 0.75 ALDH1A1 (0.42) MEN1KMT2AHTTLMNAGAA
SCHEMBL28921267 0.75 ALDH1A1 (0.42) MEN1KMT2AHTTLMNAGAA
SCHEMBL33884 0.74 ALDH1A1 (0.49) MEN1KMT2AHTTLMNAGAA
SCHEMBL28895240 0.73 MAPT (0.43) MEN1KMT2AHTTGAAPOLB
SCHEMBL1318195 0.71 ALDH1A1 (0.52) MEN1KMT2AHTTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO 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 MEN1 2588/4885KMT2A 3975/4885HTT 2037/4885

“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.