SCHEMBL2023256

SCHEMBL2023256

Cc1ccc(CN2C(=O)c3cc(F)cc(C#N)c3C2=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP3 P42574 1/20 0.35
HPGD P15428 3/20 0.35
PKM P14618 1/20 0.35
CHKA P35790 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.34
PABPC1 P11940 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL2026800 0.83 CASP3 (0.41) KDM4EALDH1A1CASP3ADRA1DADRA1A
SCHEMBL2023984 0.80 CHRM5 (0.52) ALDH1A1CASP3ADRA1DADRA1AADRA1B
SCHEMBL8272014 0.77 PRMT5 (0.37) P2RX3P2RX2
SCHEMBL21996377 0.76 CASP3 (0.55) CASP3HPGDPKMTDP1ADRA1D
SCHEMBL12704611 0.74 DAO (0.43) ALDH1A1CASP3HPGDTDP1MAPK1
SCHEMBL5243745 0.73 CA1 (0.40) KDM4EALDH1A1CASP3ADRA1DADRA1A
SCHEMBL4364085 0.72 HDAC4 (0.40) KDM4EALDH1A1HPGDMAPK1MAPT
SCHEMBL20157624 0.72 CASP3 (0.51) ALDH1A1CASP3HPGDPKMADRA1D
SCHEMBL4363603 0.70 ALDH1A1 (0.51) KDM4EALDH1A1HPGDTDP1MAPK1
SCHEMBL5244891 0.69 CHRM5 (0.40) MEN1KMT2A

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 5 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
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 KDM4E 3671/4885ALDH1A1 1582/4885HSD17B10 1912/4885

“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.