SCHEMBL4414540

SCHEMBL4414540

CC(C)(C)c1ccc(N2Cc3cccc([N+](=O)[O-])c3C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.41
MCL1 Q07820 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ESR1 P03372 1/20 0.41
NR4A1 P22736 1/20 0.41
APEX1 P27695 1/20 0.41
PTPN7 P35236 1/20 0.41
BLM P54132 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.41
PARP1 P09874 3/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
HSD11B1 P28845 2/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39

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
SCHEMBL4718611 0.88 HSD11B1 (0.41) RECQLMCL1HSD17B10ACHEDRD2
SCHEMBL1468459 0.84 NPC1 (0.51) RECQLMCL1POLBKDM4EESR1
SCHEMBL4408763 0.80 PARP1 (0.49) RECQLMCL1POLBKDM4EESR1
SCHEMBL4408038 0.79 POLB (0.44) RECQLMCL1POLBKDM4EESR1
SCHEMBL4406914 0.79 POLB (0.47) RECQLMCL1POLBKDM4EESR1
SCHEMBL2475236 0.78 MAPT (0.56) KDM4EHSD17B10ACHEPARP1DRD2
SCHEMBL10086513 0.78 TP53 (0.61) RECQLMCL1POLBKDM4EESR1
SCHEMBL10086371 0.78 TP53 (0.44) RECQLMCL1POLBKDM4EESR1
SCHEMBL13113359 0.75 MAPT (0.41) RECQLMCL1POLBKDM4EESR1
SCHEMBL13113350 0.75 MAPT (0.39) RECQLMCL1POLBKDM4EESR1

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 RECQL 997/4885MCL1 369/4885POLB 887/4885

“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.