SCHEMBL2889944

SCHEMBL2889944

CC(C)(C)OC(=O)CN=C=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DGAT1 O75907 1/20 0.31
CTSK P43235 2/20 0.30
CTSS P25774 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL3610450 0.81 KEAP1 (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16742415 0.79 HDAC3 (0.36) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10512876 0.77 DGAT1 (0.36) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11241248 0.76 EPHX2 (0.35) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14945698 0.75 DGAT1 (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL485846 0.75
SCHEMBL23709990 0.74 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL944872 0.74 EPHX2 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2133709 0.74 EPHX2 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL17643549 0.73 CYP2D6 (0.37) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4175943-B1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS BEIJING CO LTD (CN) 2026-02-11 EP disclosed
US-11987556-B2 Dual-functional compounds and methods of use BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2024-05-21 US disclosed
CN-113767104-B Bifunctional compounds and methods of use thereof 百放英库医药科技(北京)有限公司 2023-08-22 CN disclosed
US-20230174482-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2023-06-08 US disclosed
US-20230151024-A1 STING AGONISTIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230141284-A1 CANCER THERAPEUTIC METHOD ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-11 US disclosed
EP-4175943-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE Biofront Therapeutics (Beijing) Co., Ltd. (CN) 2023-05-10 EP disclosed
US-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2023-04-13 US disclosed
US-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2023-04-13 US disclosed
EP-4134098-A1 METHOD OF CANCER THERAPY ONO Pharmaceutical Co., Ltd. (JP) 2023-02-15 EP disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
US-20130012706-A1 Methods and Intermediates for the Synthesis of 4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazines PHARMINOX LIMITED (GB) 2013-01-10 US disclosed
WO-2012115286-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-08-30 WO disclosed
US-20100286088-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d][1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use PHARMINOX LIMITED (GB) 2010-11-11 US disclosed
US-20100286088-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d][1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use PHARMINOX LIMITED (GB) 2010-11-11 US disclosed
US-20100286088-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d][1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use PHARMINOX LIMITED (GB) 2010-11-11 US disclosed
EP-2229393-A2 3-SUBSTITUTED-4-OXO-3,4-DIHYDRO-IMIDAZO-[5,1-D][1,2,3,5]-TETRAZINE-8-CARBOXYLIC ACID AMIDES AS ANTICANCER AGENTS PHARMONIX LIMITED (GB) 2010-09-22 EP disclosed
WO-2009077741-A2 3-SUBSTITUTED-4-OXO-3,4-DIHYDRO-IMIDAZO-[5,1-D][1,2,3,5-TETRAZINE-8-CARBOXYLIC ACID AMIDES AND THEIR USE PHARMINOX LIMITED (GB) 2009-06-25 WO disclosed
WO-2009077741-A2 3-SUBSTITUTED-4-OXO-3,4-DIHYDRO-IMIDAZO-[5,1-D][1,2,3,5-TETRAZINE-8-CARBOXYLIC ACID AMIDES AND THEIR USE PHARMINOX LIMITED (GB) 2009-06-25 WO disclosed
US-4692461-A PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1987-09-08 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 (8 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-20230141284-A1 CANCER THERAPEUTIC METHOD STING1, CGAS, IFNAR1 CYP2D6 2634/4885HDAC3 4809/4885HDAC1 4790/4885
US-20130012706-A1 Methods and Intermediates for the Synthesis of 4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazines H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA6, TALDO1 CYP2D6 35/4885HDAC3 236/4885HDAC1 203/4885
US-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS CD2BP2, EPCAM, CD74 CYP2D6 3809/4885HDAC3 3799/4885HDAC1 3630/4885
US-20100286088-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d][1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use MKI67, CCNI, CDK4 CYP2D6 505/4885HDAC3 6/4885HDAC1 9/4885
US-20230174482-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE PDE1A, PDE3B, PDE1B CYP2D6 488/4885HDAC3 2133/4885HDAC1 619/4885
US-20230151024-A1 STING AGONISTIC COMPOUND STING1, CGAS, TLR1 CYP2D6 4253/4885HDAC3 4791/4885HDAC1 4187/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 CYP2D6 2306/4885HDAC3 318/4885HDAC1 415/4885
US-11987556-B2 Dual-functional compounds and methods of use PDE1A, PDE3B, PDE1B CYP2D6 488/4885HDAC3 2133/4885HDAC1 619/4885

“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.