SCHEMBL2021064

SCHEMBL2021064

O=C1c2c(Cl)cc(-c3cccnc3)cc2CN1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 3/20 0.47
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 2/20 0.43
CYP1A2 P05177 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TRPV6 Q9H1D0 1/20 0.40
TNIK Q9UKE5 1/20 0.40
GRM2 Q14416 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM5 P08912 1/20 0.38
PSMB5 P28074 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2E1 P05181 1/20 0.37

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
SCHEMBL8271133 0.91 DHPS (0.56) DHPSCYP11B2CYP11B1CYP1A2HDAC4
SCHEMBL2024513 0.89 DHPS (0.46) DHPSHDAC4HDAC1HDAC6MEN1
SCHEMBL2022601 0.88 DHPS (0.47) DHPSCYP11B2CYP11B1CYP1A2HDAC4
SCHEMBL2022486 0.87 DHPS (0.37) DHPSMEN1KMT2ATRPV6TNIK
SCHEMBL2022321 0.87 CHRM5 (0.52) DHPSCYP11B2CYP11B1CYP1A2HDAC4
SCHEMBL8272161 0.86 DHPS (0.47) DHPSCYP11B2CYP11B1CYP1A2HDAC4
SCHEMBL2028118 0.85 GRM2 (0.43) DHPSCYP11B2CYP11B1CYP1A2HDAC4
SCHEMBL12442981 0.85 CYP11B2 (0.40) DHPSCYP11B2CYP11B1CYP1A2TRPV6
SCHEMBL2025367 0.84 DHPS (0.53) DHPSCYP11B2CYP11B1CYP1A2HDAC4
SCHEMBL2027096 0.83 MAPK1 (0.38) CYP2C9THRATHRB

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 2532/4885CYP11B2 321/4885CYP11B1 268/4885

“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.