SCHEMBL18249657

SCHEMBL18249657

O=C(O)CCCn1c2ccccc2c2nc3nonc3nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 10/20 1.00
FABP4 P15090 3/20 0.57
FABP5 Q01469 3/20 0.57
TCF4 P15884 1/20 0.56
FABP3 P05413 1/20 0.46
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
TBXAS1 P24557 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL18249664 0.93 CTNNB1 (1.00) CTNNB1FABP4FABP5TCF4FABP3
SCHEMBL20147876 0.89 CTNNB1 (0.81) CTNNB1FABP4FABP5TCF4TSHR
SCHEMBL20149686 0.85 CTNNB1 (0.81) CTNNB1FABP4FABP5TCF4TSHR
SCHEMBL18257903 0.85 CTNNB1 (1.00) CTNNB1TCF4TSHRMAPTKDM4E
SCHEMBL18249656 0.85 CTNNB1 (1.00) CTNNB1TCF4AKR1B10AKR1B1KDM4E
SCHEMBL20147875 0.84 CTNNB1 (0.80) CTNNB1TCF4TSHRUSP2LMNA
SCHEMBL20147886 0.83 CTNNB1 (0.70) CTNNB1TCF4TSHRUSP2LMNA
SCHEMBL18257906 0.81 CTNNB1 (1.00) CTNNB1TCF4TSHRUSP2LMNA
SCHEMBL23876445 0.81 CTNNB1 (0.79) CTNNB1TCF4MAPT
SCHEMBL20149720 0.81 CTNNB1 (0.85) CTNNB1TCF4TSHRUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299123-A1 SURVIVIN-TARGETING ANTI-TUMOR AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-09-30 US disclosed
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-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
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
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 (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-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 CTNNB1 1/4885FABP4 1699/4885FABP5 185/4885
US-20210299123-A1 SURVIVIN-TARGETING ANTI-TUMOR AGENTS AND USES THEREOF XIAP, BIRC5, TP53 CTNNB1 1509/4885FABP4 1722/4885FABP5 538/4885
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 CTNNB1 1/4885FABP4 1669/4885FABP5 171/4885

“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.