SCHEMBL23452076

SCHEMBL23452076

CNc1cc(-c2ccc3c(c2)OCO3)sc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ SHMT2 P34897 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ IKBKB O14920 1/20 0.45
▸ NPSR1 Q6W5P4 4/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ GFER P55789 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL23452096 0.93 HDAC6 (0.49) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL18573454 0.78 HDAC6 (0.55) KDM4EALDH1A1HPGDSHMT2MAPT
SCHEMBL23452054 0.77 KDM4E (0.61) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL2157496 0.76 MAPT (0.76) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL23452097 0.75 NPSR1 (0.56) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL23452115 0.74 IKBKB (0.53) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL23452104 0.74 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL23452022 0.74 IKBKB (0.63) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL613270 0.73 KDM4E (0.57) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL15940345 0.72 PRKCZ (0.58) KDM4EALDH1A1HPGDSHMT2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079943-A Method for synthesizing chiral cyano-containing full-carbon quaternary carbon cyclic compound — 2026-05-26 — — CN disclosed
CN-119080791-B Construction of 1, 3-dioxolane derivatives by catalyzing electron-deficient alkenyl ethylene oxide through Lewis base 山东第一医科大学(山东省医学科学院) 2025-01-24 — — CN disclosed
CN-119080767-A Indazole [3,2-a ] isoquinoline compounds with anticancer activity and synthesis method thereof 河南师范大学 2024-12-06 — — CN disclosed
CN-119080791-A Construction of 1, 3-dioxolane derivatives by catalyzing electron-deficient alkenyl ethylene oxide through Lewis base 山东第一医科大学(山东省医学科学院) 2024-12-06 — — CN disclosed
CN-118184565-A Method for constructing all-carbon quaternary carbon center through 2, 3-disubstituted indole C6 functionalization 中国科学院大连化学物理研究所 2024-06-14 — — CN disclosed
CN-118164950-A Preparation method of chiral alkenyl thioflavonoid derivative and chiral alkenyl thioflavonoid derivative 中国科学院大连化学物理研究所 2024-06-11 — — CN disclosed
CN-118164943-A Axis chiral alkenyl flavonoid derivative and preparation method thereof 中国科学院大连化学物理研究所 2024-06-11 — — CN disclosed
CN-117586266-A Indenopyrazoles compounds with anticancer activity and synthesis method thereof 河南师范大学 2024-02-23 — — CN disclosed
CN-117026251-A Electrochemical cyclization method of alkynyl phosphonate 成都大学 2023-11-10 — — CN disclosed
CN-117024415-A Synthesis method of 3-pyridine-4-enol substituted isocoumarin compound 河南师范大学 2023-11-10 — — CN disclosed
CN-116640139-A Method for synthesizing chiral indolizidine compound through [3+2] cycloaddition 河南师范大学 2023-08-25 — — CN disclosed
CN-110981919-B Method for synthesizing octatomic amidine cyclic palladium compound by one-pot method and application thereof 郑州轻工业大学 2022-10-18 — — CN disclosed
US-11427596-B2 Metal-free solvent-free synthesis of fused-pyrido heterocycles and biomedical applications Indian Institute of Technology Indore (IN) 2022-08-30 — — US disclosed
CN-114874140-A Cyclic imine derivative with acrylate structure and preparation method thereof 吉林大学 2022-08-09 — — CN disclosed
CN-114634490-A Method for synthesizing heterotriarylmethane by functionalizing 2, 3-disubstituted indole C6 中国科学院大连化学物理研究所 2022-06-17 — — CN disclosed
US-11306103-B2 Thieno[3,2-b]pyridine-5(4H)-one derivative compound, preparation method thereof and use thereof KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY 2022-04-19 — — US disclosed
US-11306103-B2 Thieno[3,2-b]pyridine-5(4H)-one derivative compound, preparation method thereof and use thereof KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY 2022-04-19 — — US disclosed
US-20210171539-A1 NOVEL THIENO[3,2-B]PYRIDINE-5(4H)-ONE DERIVATIVE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY (KR) 2021-06-10 — — US disclosed
US-20210171539-A1 NOVEL THIENO[3,2-B]PYRIDINE-5(4H)-ONE DERIVATIVE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY (KR) 2021-06-10 — — 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 (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-11427596-B2 Metal-free solvent-free synthesis of fused-pyrido heterocycles and biomedical applications SLC11A2, WEE1, BRCA1 KDM4E 1717/4885ALDH1A1 2132/4885HPGD 1396/4885
US-20210171539-A1 NOVEL THIENO[3,2-B]PYRIDINE-5(4H)-ONE DERIVATIVE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF BRD4, BRPF3, AFF4 KDM4E 125/4885ALDH1A1 908/4885HPGD 2423/4885
US-11306103-B2 Thieno[3,2-b]pyridine-5(4H)-one derivative compound, preparation method thereof and use thereof BRD4, BRPF3, AFF4 KDM4E 159/4885ALDH1A1 921/4885HPGD 2657/4885

“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.

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