SCHEMBL4409797

SCHEMBL4409797

CC(C)(C)c1ccc(N2C(=O)c3cccc(N)c3C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.70
HSPA1A P0DMV8 1/20 0.67
PABPC1 P11940 1/20 0.67
DPP4 P27487 1/20 0.55
CA9 Q16790 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 1/20 0.47
CCR9 P51686 1/20 0.46
TYMS P04818 2/20 0.44
AHR P35869 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL31061260 0.83 ADORA2A (1.00) ADORA2AHSPA1APABPC1DPP4AHR
SCHEMBL9566604 0.82 HSPA1A (0.77) ADORA2AHSPA1APABPC1DPP4CA9
SCHEMBL13871737 0.82 KMT2A (0.58) CA9CA12CA1CA2ALDH1A1
SCHEMBL28489546 0.82 ADORA2A (0.48) ADORA2AHSPA1APABPC1CA9CA12
SCHEMBL11513204 0.80 HSPA1A (1.00) ADORA2AHSPA1APABPC1DPP4CA9
SCHEMBL31259838 0.80 HSPA1A (1.00) ADORA2AHSPA1APABPC1DPP4CA9
SCHEMBL9566623 0.80 HSPA1A (0.73) ADORA2AHSPA1APABPC1DPP4CA9
SCHEMBL4409822 0.79 KDM4E (0.58) ADORA2ACA9CA12CA1CA2
SCHEMBL9468821 0.78 HSPA1A (0.71) ADORA2AHSPA1APABPC1DPP4ALDH1A1
SCHEMBL9468703 0.78 HSPA1A (0.71) ADORA2AHSPA1APABPC1DPP4TYMS

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-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP disclosed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO disclosed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 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 (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-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 ADORA2A 2020/4885HSPA1A 2414/4885PABPC1 4448/4885

“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.