SCHEMBL2048285

SCHEMBL2048285

O=C1c2cc(C(F)(F)F)ccc2CN1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.52
HDAC4 P56524 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
ATM Q13315 1/20 0.49
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
KCNH2 Q12809 1/20 0.46
ACHE P22303 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD5 P21918 1/20 0.44
DHPS P49366 1/20 0.43
PARP1 P09874 1/20 0.42
CHRM5 P08912 1/20 0.42
HDAC7 Q8WUI4 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL29630864 1.00 HDAC1 (0.52) HDAC1HDAC4HDAC6ATMDRD2
SCHEMBL2025017 0.83 KMT2A (0.55) HDAC1DRD2DRD3ACHEMEN1
SCHEMBL2023743 0.82 HDAC1 (0.55) HDAC1HDAC4HDAC6ACHEMEN1
SCHEMBL2019162 0.80 HDAC1 (0.56) HDAC1HDAC4HDAC6ACHEMEN1
SCHEMBL15120603 0.79 HDAC1 (0.55) HDAC1HDAC4HDAC6ACHEMEN1
SCHEMBL31391661 0.79 KDM4E (0.55) HDAC1HDAC4HDAC6ACHEMEN1
SCHEMBL16850291 0.79 HDAC1 (0.58) HDAC1HDAC4HDAC6ACHEMEN1
SCHEMBL20028546 0.79 HDAC1 (0.58) HDAC1HDAC4HDAC6ACHEMEN1
SCHEMBL29010959 0.79 KDM4E (0.55) HDAC1HDAC4HDAC6ACHEMEN1
SCHEMBL27137063 0.78 DRD3 (0.46) HDAC1HDAC4HDAC6DRD2DRD3

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 9 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-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
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
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 HDAC1 2500/4885HDAC4 3609/4885HDAC6 3198/4885

“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.