SCHEMBL18257900

SCHEMBL18257900

O=C(O)c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDH1 P12830 1/20 1.00
APC P25054 1/20 1.00
CTNNB1 P35222 1/20 1.00
TCF7L2 Q9NQB0 1/20 1.00
GAA P10253 4/20 0.73
ALDH1A1 P00352 4/20 0.73
KDM4E B2RXH2 3/20 0.73
HPGD P15428 3/20 0.73
RAB9A P51151 3/20 0.73
NPC1 O15118 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
MAPT P10636 2/20 0.72
CSNK2A2 P19784 4/20 0.61
CSNK2B P67870 4/20 0.61
CHEK2 O96017 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52

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
SCHEMBL15665468 0.95 CDH1 (0.91) CDH1APCCTNNB1TCF7L2GAA
SCHEMBL9953732 0.90 CDH1 (0.81) CDH1APCCTNNB1TCF7L2GAA
SCHEMBL15665863 0.85 HPGD (0.93) CDH1APCCTNNB1TCF7L2GAA
SCHEMBL15666427 0.85 HPGD (0.93) CDH1APCCTNNB1TCF7L2GAA
SCHEMBL1258992 0.85 ALDH1A1 (0.76) CDH1APCCTNNB1TCF7L2GAA
SCHEMBL6291531 0.85 ALDH1A1 (1.00) CDH1APCCTNNB1TCF7L2GAA
SCHEMBL30555665 0.85 ALDH1A1 (1.00) CDH1APCCTNNB1TCF7L2GAA
SCHEMBL14144079 0.84 ALDH1A1 (0.73) CDH1APCCTNNB1TCF7L2GAA
SCHEMBL15666702 0.84 ALDH1A1 (1.00) CDH1APCCTNNB1TCF7L2GAA
SCHEMBL7262881 0.84 ALDH1A1 (0.73) CDH1APCCTNNB1TCF7L2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273246-B2 Methods and compositions of substituted 5H-[1,2,5] oxadiazolo [3′,4′:5,6] pyrazino[2,3-B] indole analogs as inhibitors of β-catenin/T-cell factor protein-protein interactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2019-04-30 US disclosed
US-20180134729-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5] OXADIAZOLO [3',4':5,6] PYRAZINO[2,3-B] INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH 2018-05-17 US disclosed
WO-2016187050-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5]OXADIAZOLO[3',4':5,6] PYRAZIONO[2,3-B]INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-11-24 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 (2 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-20180134729-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5] OXADIAZOLO [3',4':5,6] PYRAZINO[2,3-B] INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS CTNNB1, CTNNBL1, WNT3A CDH1 2090/4885APC 16/4885CTNNB1 1/4885
US-10273246-B2 Methods and compositions of substituted 5H-[1,2,5] oxadiazolo [3′,4′:5,6] pyrazino[2,3-B] indole analogs as inhibitors of β-catenin/T-cell factor protein-protein interactions CTNNB1, CTNNBL1, WNT3A CDH1 2064/4885APC 16/4885CTNNB1 1/4885

“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.