SCHEMBL1001744

SCHEMBL1001744

COc1cc2c(c(OC)c1)C(=O)N(C(C)c1ccc(Cl)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD11B1 P28845 3/20 0.37
FKBP1A P62942 1/20 0.37
OPRM1 P35372 1/20 0.37
ELANE P08246 1/20 0.36
RORC P51449 1/20 0.36
MDM4 O15151 2/20 0.36
MDM2 Q00987 2/20 0.36
MAPT P10636 1/20 0.35
EGFR P00533 2/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 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
SCHEMBL8272139 1.00 ACHE (0.39) ACHEALDH1A1CYP1A2CYP3A4HSD11B1
SCHEMBL12413553 0.88 HSD11B1 (0.37) ACHEHSD11B1MDM4MDM2MAPT
SCHEMBL8239554 0.88 PIK3CG (0.39) HSD11B1OPRM1MAPTEGFRMAPK1
SCHEMBL12043674 0.81 ACHE (0.47) ACHEALDH1A1CYP1A2CYP3A4ELANE
SCHEMBL2024709 0.78 PIK3CG (0.43) HSD11B1MAPK1
SCHEMBL2024712 0.78 PIK3CG (0.43) HSD11B1MAPK1
SCHEMBL1003751 0.78 AMY1A (0.36) ALDH1A1HSD11B1OPRM1MDM4MDM2
SCHEMBL2024711 0.78 HSD11B1 (0.41) CYP3A4HSD11B1OPRM1MAPK1
SCHEMBL8272138 0.78 HSD11B1 (0.41) CYP3A4HSD11B1OPRM1MAPK1
SCHEMBL30292878 0.76 EGFR (0.45) ACHEALDH1A1HSD11B1EGFRKDM4E

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
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US claimed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US claimed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US 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 (3 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-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS GRM1, GRIN1, GRM2 ACHE 1071/4885ALDH1A1 1757/4885CYP1A2 1320/4885
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 ACHE 1263/4885ALDH1A1 1582/4885CYP1A2 1256/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 ACHE 1071/4885ALDH1A1 1757/4885CYP1A2 1320/4885

“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.