SCHEMBL647893

SCHEMBL647893

OCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
FDPS P14324 1/20 0.34
KCNN4 O15554 2/20 0.33
KCNA3 P22001 2/20 0.33
HSP90AA1 P07900 1/20 0.33
CHRM2 P08172 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP19A1 P11511 2/20 0.33
SLC22A1 O15245 1/20 0.33
NR1I2 O75469 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TRPM2 O94759 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1528022 0.87 KMT2A (0.44) KMT2AMEN1CYP11B1CYP11B2FDPS
SCHEMBL4759513 0.84 KMT2A (0.42) KMT2AMEN1CYP11B1CYP11B2FDPS
SCHEMBL1845371 0.83 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2FDPS
SCHEMBL6948425 0.83 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2KCNN4
SCHEMBL8188378 0.83 KMT2A (0.46) KMT2AMEN1CYP11B1CYP11B2KCNN4
SCHEMBL6467815 0.83 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2FDPS
SCHEMBL5327785 0.83 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2FDPS
SCHEMBL6446028 0.82 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2FDPS
SCHEMBL8806580 0.80 KMT2A (0.44) KMT2AMEN1CYP11B1CYP11B2KCNN4
SCHEMBL27544681 0.80 KMT2A (0.41) KMT2AMEN1CYP11B1CYP11B2FDPS

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994283-A Beta-D-galactopyranose compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-11-22 CN disclosed
US-20210277003-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-09 US disclosed
WO-2020260857-A1 HYDROXAMATE COMPOUNDS AS ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2020-12-30 WO disclosed
WO-2019243535-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-9650371-B2 Sulfur-containing heterocyclic derivative having beta secretase inhibitory activity SHIONOGI & CO., LTD. (JP) 2017-05-16 US disclosed
US-9650371-B2 Sulfur-containing heterocyclic derivative having beta secretase inhibitory activity SHIONOGI & CO., LTD. (JP) 2017-05-16 US disclosed
US-20160326158-A1 SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2016-11-10 US disclosed
US-20160326158-A1 SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2016-11-10 US disclosed
US-20160108052-A1 SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2016-04-21 US disclosed
US-20160108052-A1 SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2016-04-21 US disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed
US-20060247290-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2006-11-02 US disclosed
US-7119116-B2 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics SANOFI-AVENTIS (FR) 2006-10-10 US disclosed
US-20050182130-A1 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics SANOFI AVENTIS (FR) 2005-08-18 US disclosed
EP-1537096-A2 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2005-06-08 EP disclosed
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
WO-2004020430-A2 DERIVATIVES OF DIOXANE-2-ALKYL CARBAMATES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-03-11 WO disclosed
US-5565479-A IMIDAZOLYL FUSED THIAZOLES ANTISEROTONINE AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-10-15 US disclosed
EP-0666263-A1 NOVEL CONDENSED THIAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-08-09 EP 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 (6 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-20160108052-A1 SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY BACE1, BACE2, APP KMT2A 2134/4885MEN1 1637/4885CYP11B1 1188/4885
US-20160326158-A1 SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY BACE1, BACE2, APP KMT2A 2242/4885MEN1 1661/4885CYP11B1 1169/4885
US-20060247290-A1 DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS CHRM3, CHRM2, CHRM4 KMT2A 3293/4885MEN1 1600/4885CYP11B1 94/4885
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR KMT2A 2015/4885MEN1 2050/4885CYP11B1 145/4885
US-20050182130-A1 Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics CHRM3, CHRM2, CHRM4 KMT2A 3209/4885MEN1 1380/4885CYP11B1 67/4885
US-20210277003-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN KMT2A 1825/4885MEN1 3073/4885CYP11B1 4512/4885

“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.