SCHEMBL5331590

SCHEMBL5331590

O=C1NCCN(c2cc3ccccc3[nH]2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
AOC3 Q16853 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
BRD4 O60885 1/20 0.38
DAO P14920 1/20 0.38
DDO Q99489 1/20 0.38
KDR P35968 3/20 0.37
AURKA O14965 1/20 0.37
PARP1 P09874 3/20 0.36

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
SCHEMBL27889736 0.84 AOC3 (0.46) HRH4HRH3AOC3CA12CA1
SCHEMBL28670716 0.77 AOC3 (0.39) HRH4HRH3AOC3CA12CA1
SCHEMBL9462932 0.73 AOC3 (0.41) HRH4HRH3AOC3CA12CA1
SCHEMBL20547348 0.72 BRD4 (0.46) HRH4HRH3AOC3CA12CA1
SCHEMBL6597824 0.72 AOC3 (0.40) HRH4HRH3AOC3CA12CA1
SCHEMBL11667140 0.71 AOC3 (0.42) HRH4HRH3AOC3CA12CA1
SCHEMBL29866067 0.71 AOC3 (0.42) HRH4HRH3AOC3CA12CA1
SCHEMBL6224361 0.71 NPC1 (0.50) PARP1POLBSMN1; SMN2
SCHEMBL30418698 0.71 NPC1 (0.51) AOC3CA12CA1CA3CA4
SCHEMBL21047717 0.69 APAF1 (0.47) HRH4HRH3AOC3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447471-A Indole diketopiperazine compound, preparation method thereof and application thereof in preparation of osteoclast differentiation inhibitor 广西中医药大学 2024-01-26 CN claimed
CN-110066283-A A kind of Indolyl diketopiperazine compounds Alkaloid and its preparation method and application 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2019-07-30 CN claimed
CN-102911188-B Sulfur-containing diindolyl diketopiperazine compounds and application thereof in preparing antineoplastic drugs SOUTH CHINA SEA INST OCEANOLOG 2015-01-07 CN claimed
CN-103435622-A Spiro indole diketopiperazine alkaloid, and synthesis method and application of spiro indole diketopiperazine alkaloid UNIV SHAANXI SCIENCE & TECH 2013-12-11 CN claimed
CN-102669110-B Application of indole diketopiperazine derivatives INST OCEANOLOGY CHINESE ACAD 2013-06-19 CN claimed
CN-102911188-A Sulfur-containing diindolyl diketopiperazine compounds and application thereof in preparing antineoplastic drugs SOUTH CHINA SEA INST OCEANOLOG 2013-02-06 CN claimed
WO-2007037782-A2 METHOD FOR TREATING PROSTATE CONDITIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-04-05 WO claimed
US-20060233809-A1 Method for treating prostate conditions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-19 US claimed
CN-116354946-B Indolyl diketopiperazine derivative and strain derived from marine aspergillus as well as preparation methods and application of indolyl diketopiperazine derivative and strain 浙江工业大学 2025-05-30 CN disclosed
CN-116354946-B Indolyl diketopiperazine derivative and strain derived from marine aspergillus as well as preparation methods and application of indolyl diketopiperazine derivative and strain 浙江工业大学 2025-05-30 CN disclosed
CN-117964631-A Indole diketopiperazine compound and preparation method and application thereof 中国农业科学院烟草研究所(中国烟草总公司青州烟草研究所) 2024-05-03 CN disclosed
CN-117447471-A Indole diketopiperazine compound, preparation method thereof and application thereof in preparation of osteoclast differentiation inhibitor 广西中医药大学 2024-01-26 CN disclosed
CN-116354946-A Indolyl diketopiperazine derivative and strain derived from marine aspergillus as well as preparation methods and application of indolyl diketopiperazine derivative and strain 浙江工业大学 2023-06-30 CN disclosed
CN-116354946-A Indolyl diketopiperazine derivative and strain derived from marine aspergillus as well as preparation methods and application of indolyl diketopiperazine derivative and strain 浙江工业大学 2023-06-30 CN disclosed
US-20060233809-A1 Method for treating prostate conditions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-19 US disclosed
US-20050255084-A1 Use of a half-transporter protein of the abcg-family for selecting cells and in gene therapy SOLVO BIOTECHNOLOGY (HU) 2005-11-17 US disclosed
EP-1442057-A1 USE OF A HALF-TRANSPORTER PROTEIN OF THE ABCG-FAMILY FOR SELECTING CELLS AND IN GENE THERAPY Solvo Biotechnology Inc. (HU) 2004-08-04 EP disclosed
US-6608193-B2 Forming an intermediate by reacting the support-bound amino-substituted-tetrahydroisoquinoline compound with a reagent; and cyclizatively cleaving support-bound amino-substituted-tetrahydroisoquinoline compound THE PROCTER & GAMBLE COMPANY 2003-08-19 US disclosed
WO-2003035685-A1 USE OF A HALF-TRANSPORTER PROTEIN OF THE ABCG-FAMILY FOR SELECTING CELLS AND IN GENE THERAPY SOLVO BIOTECHNOLOGY INC. (HU) 2003-05-01 WO disclosed
US-20020077480-A1 Methods for synthesis of amino-tetrahydroisoquinoline ring compounds PROCTER & GAMBLE COMPANY, THE 2002-06-20 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 (1 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-20020077480-A1 Methods for synthesis of amino-tetrahydroisoquinoline ring compounds ASNS, QPCT, DAO HRH4 648/4885HRH3 606/4885AOC3 756/4885

“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.