Sugi Predict

Sugi Predict / Compounds / SCHEMBL398342

SCHEMBL398342

SCHEMBL398342

O=C1CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 3/20 0.50
▸ S100A4 P26447 2/20 0.50
▸ BAZ1A Q9NRL2 1/20 0.49
▸ MAOA P21397 3/20 0.47
▸ MAOB P27338 3/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ TDP2 O95551 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TLR9 Q9NR96 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ PNMT P11086 1/20 0.45
▸ NPC1 O15118 2/20 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
SCHEMBL2246184 0.97 PTPRC (0.50) PTPRCS100A4BAZ1AMAOAMAOB
SCHEMBL30954730 0.89 BAZ1A (0.58) PTPRCS100A4BAZ1AMAPTGAA
SCHEMBL568785 0.89 BAZ1A (0.58) PTPRCS100A4BAZ1AMAPTGAA
SCHEMBL1096538 0.86 MAOA (0.54) PTPRCS100A4MAOAMAOBCYP2A6
SCHEMBL5486510 0.84 KMT2A (0.46) PTPRCS100A4BAZ1AMAPTGAA
SCHEMBL3814176 0.83 PTPRC (0.50) PTPRCS100A4MAOAMAOBCYP2A6
SCHEMBL14053803 0.81 PTPRC (0.44) PTPRCS100A4MAPTGAATDP2
SCHEMBL5210156 0.81 PTPRC (0.44) PTPRCS100A4MAPTGAATDP2
SCHEMBL16559365 0.80 MAPT (0.61) PTPRCS100A4BAZ1AMAPTGAA
SCHEMBL8503139 0.80 PTPRC (0.55) PTPRCS100A4MAPTTDP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9118653-A — — None — — JP disclosed
EP-3630759-B1 COMPOUNDS USEFUL AS ION CHANNEL INHIBITORS FOR THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-05-01 — — EP disclosed
US-11932638-B2 Ion channel inhibitor compounds for cancer treatment CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) 2024-03-19 — — US disclosed
EP-4265613-A1 BENZENE RING COMPOUND AND USE THEREOF Nanjing Shijiang Medicine Technology Co., Ltd (CN) 2023-10-25 — — EP disclosed
CN-113121626-B Macrolide compound, synthesis method, pharmaceutical composition and application thereof 上海医药工业研究院有限公司 2023-06-16 — — CN disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 — — US disclosed
US-11582970-B2 2-aminoimidazole-phenyl derivatives useful for controlling microbial growth NORTH CAROLINA STATE UNIVERSITY (US) 2023-02-21 — — US disclosed
US-11390733-B2 Elastomeric formulations comprising branched EPDM polymers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-07-19 — — US disclosed
US-20220000118-A1 2-AMINOIMIDAZOLE-PHENYL DERIVATIVES USEFUL FOR CONTROLLING MICROBIAL GROWTH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-06 — — US disclosed
CN-113121626-A Macrolide compound, synthesis method, pharmaceutical composition and application thereof 上海医药工业研究院 2021-07-16 — — CN disclosed
EP-0431945-A2 Antiarrhythmic agents MERCK & CO. INC. (US) 1991-06-12 — — EP disclosed
EP-0337765-A2 Acylsulfonamide derivatives of alpha-carbocyclyltoluic acids used as leukotriene antagonists ICI AMERICAS INC. (US) 1989-10-18 — — EP disclosed
CN-1030575-A Oxo-1,2-indane and tetrahydronaphthalenherbicide herbicide SHELL INT RESEARCH (NL) 1989-01-25 — — CN disclosed
EP-0275131-A1 Herbicidal oxoindanes and tetrahydronaphthalenes SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-07-20 — — EP disclosed
US-4569689-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1986-02-11 — — US disclosed
EP-0129192-A1 Aniline derivatives, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1984-12-27 — — EP disclosed
US-4174397-A TREATMENT OF OBESITY AND LIPID METABOLISM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-13 — — US disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 — — US disclosed
US-3959480-A Polycyclic gamma-pyrone-3-carboxaldehyde derivatives WARNER-LAMBERT COMPANY (US) 1976-05-25 — — US disclosed
US-3936488-A Polycyclic dioxaborin complexes WARNER-LAMBERT COMPANY (US) 1976-02-03 — — 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 (4 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-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 PTPRC 59/4885S100A4 1693/4885BAZ1A 1005/4885
US-11932638-B2 Ion channel inhibitor compounds for cancer treatment CACNA1E, KCNA1, KCNT1 PTPRC 2197/4885S100A4 3037/4885BAZ1A 2119/4885
US-11582970-B2 2-aminoimidazole-phenyl derivatives useful for controlling microbial growth DDC, IL4I1, ING2 PTPRC 4539/4885S100A4 3294/4885BAZ1A 1526/4885
US-20220000118-A1 2-AMINOIMIDAZOLE-PHENYL DERIVATIVES USEFUL FOR CONTROLLING MICROBIAL GROWTH DDC, IL4I1, ING2 PTPRC 4539/4885S100A4 3294/4885BAZ1A 1526/4885

“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.