Sugi Predict

Sugi Predict / Compounds / SCHEMBL744716

SCHEMBL744716

SCHEMBL744716

O=[N+]([O-])/C=C/c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 1.00
▸ MTOR P42345 1/20 1.00
▸ RAB9A P51151 1/20 1.00
▸ VCP P55072 1/20 1.00
▸ CYP3A4 P08684 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ PTPN1 P18031 1/20 0.56
▸ CYP19A1 P11511 2/20 0.54
▸ MAPT P10636 2/20 0.53
▸ FBP1 P09467 1/20 0.53
▸ MITF O75030 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ ABL1 P00519 1/20 0.51
▸ EGFR P00533 1/20 0.51

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
SCHEMBL744717 1.00 NPC1 (1.00) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL30577771 1.00 NPC1 (1.00) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL16211885 1.00 NPC1 (1.00) NPC1MTORRAB9AVCPCYP3A4
Piperonal SCHEMBL6073053 0.94 NPC1 (0.88) NPC1MTORRAB9AVCPCYP3A4
Piperonal SCHEMBL6073058 0.94 NPC1 (0.88) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL2742581 0.90 VCP (0.82) NPC1MTORRAB9AVCPMAPT
SCHEMBL4997484 0.90 VCP (0.82) NPC1MTORRAB9AVCPMAPT
SCHEMBL13799666 0.87 VCP (0.77) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL67999 0.83 NPC1 (0.71) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL19097687 0.81 PTPN1 (0.71) NPC1MTORRAB9AVCPCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215496-A Immunomodulatory combinations of antigens and drug-lipid conjugates 集成纳米治疗股份有限公司 2024-06-18 — — CN claimed
US-20240167036-A1 EXTRACELLULAR VESICLE-NLRP3 ANTAGONIST LONZA SALES AG (CH) 2024-05-23 — — US claimed
WO-2024064729-A1 SYK ACTIVATORS AND INHIBITORS IN NEURODEGENERATIVE DISEASES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-03-28 — — WO claimed
US-11723891-B2 Drug combinations for use in the treatment of RAS-mutant cancer UMC UTRECHT HOLDING B.V. (NL) 2023-08-15 — — US claimed
US-20230218726-A1 TREATMENT OF VIRAL CONJUNCTIVITIS OKOGEN, INC. 2023-07-13 — — US claimed
CN-115996715-A Treatment of viral conjunctivitis 奥可金公司 2023-04-21 — — CN claimed
EP-4138882-A1 TREATMENT OF VIRAL CONJUNCTIVITIS Okogen, Inc. (US) 2023-03-01 — — EP claimed
WO-2022255346-A1 MITOCHONDRIAL SUPERCOMPLEX FORMATION PROMOTER, COMPOSITION FOR MAINTAINING OR IMPROVING MUSCULAR STRENGTH, THERAPEUTIC OR PREVENTATIVE PHARMACEUTICAL COMPOSITION FOR DISEASES WHICH DECREASE MITOCHONDRIAL FUNCTION OR MUSCULAR FUNCTION, AND SCREENING METHOD FOR SUBSTANCES WHICH CONTRIBUTE TO FORMATION OF MITOCHONDRIAL SUPERCOMPLEX 地方独立行政法人東京都健康長寿医療センター 2022-12-08 — — WO claimed
CN-114829586-A Extracellular vesicle-NLRP 3 antagonists 科迪亚克生物科学公司 2022-07-29 — — CN claimed
EP-4013876-A1 EXTRACELLULAR VESICLE-NLRP3 ANTAGONIST Codiak BioSciences, Inc. (US) 2022-06-22 — — EP claimed
US-20100292317-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD. (AU) 2010-11-18 — — US claimed
US-7825145-B2 Antimicrobial and radioprotective compounds BIODIEM LTD (AU) 2010-11-02 — — US claimed
US-20090012137-A1 administering microbiocides such as 3,4-methylenedioxy- beta -nitrostyrene, for the treatment of urogenital disorders caused by Candida, Neisseria, Chlamydia or Trichomonas; side effect reduction of radiotherapy BIODIEM LTD. (AU) 2009-01-08 — — US claimed
EP-1404665-A4 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD (AU) 2007-06-27 — — EP claimed
US-20060100258-A1 Growth promotion method BIODIEM LTD. (AU) 2006-05-11 — — US claimed
EP-1597236-A1 GROWTH PROMOTION METHOD Biodiem Ltd. (AU) 2005-11-23 — — EP claimed
US-20040266844-A1 Antimicrobial and radioprotective compounds BIODIEM LTD (AU) 2004-12-30 — — US claimed
WO-2004076423-A1 GROWTH PROMOTION METHOD BIODIEM LTD (AU) 2004-09-10 — — WO claimed
EP-1404665-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS Biodiem Ltd. (AU) 2004-04-07 — — EP claimed
WO-2002102789-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD (AU) 2002-12-27 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040266844-A1 Antimicrobial and radioprotective compounds VIP, XPA, ERCC4 NPC1 527/4885MTOR 1674/4885RAB9A 958/4885
US-20100292317-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS RAD51, BRCA1, XPA NPC1 1591/4885MTOR 2604/4885RAB9A 451/4885
US-20240167036-A1 EXTRACELLULAR VESICLE-NLRP3 ANTAGONIST NLRP3, MTREX, NLRP1 NPC1 294/4885MTOR 3209/4885RAB9A 4037/4885
US-20090012137-A1 administering microbiocides such as 3,4-methylenedioxy- beta -nitrostyrene, for the treatment of urogenital disorders caused by Candida, Neisseria, Chlamydia or Trichomonas; side effect reduction of radiotherapy TUBB1, UGT1A1, CYP1A1 NPC1 695/4885MTOR 3796/4885RAB9A 1109/4885
US-20060100258-A1 Growth promotion method HDGF, MKI67, GHRHR NPC1 3101/4885MTOR 617/4885RAB9A 2147/4885

“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.