SCHEMBL4594856

SCHEMBL4594856

COc1ccc(I)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.57
EP300 Q09472 1/20 0.55
KAT8 Q9H7Z6 1/20 0.55
IMPDH2 P12268 1/20 0.52
IMPDH1 P20839 1/20 0.52
NQO1 P15559 1/20 0.50
MAPT P10636 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PLK1 P53350 1/20 0.46
HPGDS O60760 1/20 0.44
CDC25B P30305 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL2987997 0.86 IDO1 (0.47) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL29380721 0.85 IDO1 (0.73) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL419307 0.85 IDO1 (0.73) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL31666411 0.78 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL12019841 0.78 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL7753164 0.78 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL12019777 0.78 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL3193406 0.77 ALDH1A1 (0.39) IDO1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL29926858 0.77 ALDH1A1 (0.39) IDO1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL18544259 0.75 CA12 (0.52) IDO1NQO1MAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930614-A Benzo [4,5] imidazo [2,1-a ] isoquinoline compound and preparation method and application thereof 烟台大学 2025-05-06 CN claimed
CN-119930614-A Benzo [4,5] imidazo [2,1-a ] isoquinoline compound and preparation method and application thereof 烟台大学 2025-05-06 CN disclosed
CN-119143673-A 5-Aryl benzophenanthridine-6 (5H) -ketone C-N axis chiral compound and preparation method and application thereof 浙江大学杭州国际科创中心 2024-12-17 CN disclosed
EP-3536692-B1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2021-04-07 EP disclosed
EP-3536692-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2019-09-11 EP disclosed
US-10259800-B2 Method of fluorination using iodonium ylides THE GENERAL HOSPITAL CORPORATION (US) 2019-04-16 US disclosed
US-10202389-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-02-12 US disclosed
US-20170369499-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9796725-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170217968-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 US disclosed
US-20120157691-A1 Lewis Acid Catalyzed Halogenation of Activated Carbon Atoms JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-06-21 US disclosed
US-20080275253-A1 halogenation with a halogen donor selected from N-bromosuccinimide, N-iodosuccinimide, N-chlorosuccinimide and N-fluorobenzene-sulfonimide, 1,3-dibromo-5,5-dimethyl imidazolidine-2,4-dione in presence of ZrCl4; bromination of tetramethylsilane JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-11-06 US disclosed
US-20080275253-A1 halogenation with a halogen donor selected from N-bromosuccinimide, N-iodosuccinimide, N-chlorosuccinimide and N-fluorobenzene-sulfonimide, 1,3-dibromo-5,5-dimethyl imidazolidine-2,4-dione in presence of ZrCl4; bromination of tetramethylsilane JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-11-06 US disclosed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
EP-1937243-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-07-02 EP disclosed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 WO disclosed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 WO disclosed
WO-1989008630-A1 METHOD FOR THE HALOGENATION OF AROMATIC COMPOUNDS ZENOVA AB (SE) 1989-09-21 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 (7 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-10202389-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme UBA1, UBXN1, UBE2E1 IDO1 719/4885EP300 2249/4885KAT8 621/4885
US-20080275253-A1 halogenation with a halogen donor selected from N-bromosuccinimide, N-iodosuccinimide, N-chlorosuccinimide and N-fluorobenzene-sulfonimide, 1,3-dibromo-5,5-dimethyl imidazolidine-2,4-dione in presence of ZrCl4; bromination of tetramethylsilane HDHD5, ZRANB2, CLIC4 IDO1 978/4885EP300 3186/4885KAT8 471/4885
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation APP, BACE1, SNCA IDO1 2712/4885EP300 1185/4885KAT8 4272/4885
US-10259800-B2 Method of fluorination using iodonium ylides FLI1, ABL1, PFAS IDO1 169/4885EP300 644/4885KAT8 233/4885
US-20170369499-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME USP1, UBA1, UBXN1 IDO1 728/4885EP300 2286/4885KAT8 640/4885
US-20170217968-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME UBA1, UBXN1, UBE2E1 IDO1 719/4885EP300 2249/4885KAT8 621/4885
US-20120157691-A1 Lewis Acid Catalyzed Halogenation of Activated Carbon Atoms NBAS, CA3, CA9 IDO1 3644/4885EP300 790/4885KAT8 88/4885

“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.