SCHEMBL2048064

SCHEMBL2048064

Cc1ccc(CN2Cc3cc(-c4cccnc4)ccc3C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.55
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
GRM2 Q14416 1/20 0.48
CYP11B1 P15538 8/20 0.48
CYP11B2 P19099 8/20 0.48
CYP1A2 P05177 5/20 0.48
TNIK Q9UKE5 2/20 0.47
KDR P35968 2/20 0.47
EPHB4 P54760 1/20 0.47
TDP2 O95551 1/20 0.45
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
TEK Q02763 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8272646 0.86 HDAC4 (0.51) DHPSHDAC4HDAC1HDAC6GRM2
SCHEMBL2025367 0.85 DHPS (0.53) DHPSHDAC4HDAC1HDAC6GRM2
SCHEMBL2026834 0.83 DHPS (0.48) DHPSHDAC4HDAC1HDAC6GRM2
SCHEMBL2021771 0.80 TNIK (0.44) DHPSHDAC4HDAC1HDAC6TNIK
SCHEMBL447861 0.78 HDAC1 (0.68) HDAC4HDAC1HDAC6KDRCYP3A4
SCHEMBL2028364 0.76 HDAC4 (0.45) DHPSHDAC4HDAC1HDAC6GRM2
SCHEMBL2028250 0.76 HDAC4 (0.45) DHPSHDAC4HDAC1HDAC6GRM2
SCHEMBL25612013 0.76 DHPS (0.55) DHPSHDAC4HDAC1HDAC6CYP11B1
SCHEMBL2027087 0.76 DHPS (0.55) DHPSHDAC4HDAC1HDAC6GRM2
SCHEMBL2024051 0.75 HDAC4 (0.44) DHPSHDAC4HDAC1HDAC6GRM2

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-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
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US 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 DHPS 2532/4885HDAC4 3609/4885HDAC1 2500/4885

“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.