Sugi Predict

Sugi Predict / Compounds / SCHEMBL258506

SCHEMBL258506

SCHEMBL258506

O=C(Cl)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MAOB P27338 1/20 0.54
▸ HTT P42858 1/20 0.51
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KDM4E B2RXH2 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
SCHEMBL10907707 0.88 ALDH1A1 (0.50) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL286962 0.86 MAOB (0.56) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL5682398 0.85 ALDH1A1 (0.54) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL602068 0.85 MAOB (0.55) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL602067 0.85 MAOB (0.55) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL5932809 0.85 MAOB (0.55) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL5583436 0.84 ALDH1A1 (0.53) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL5583398 0.84 ALDH1A1 (0.57) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL27687104 0.84 ALDH1A1 (0.53) ALDH1A1TSHRMAOBHTTNPC1
SCHEMBL6324821 0.83 MAOB (0.54) ALDH1A1TSHRMAOBHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420691-B Avermectin derivative containing nitrobenzyl oxycarbonyl ester and its synthesis and use 内蒙古嘉宝仕生物科技股份有限公司 2024-09-17 — — CN claimed
CN-118420691-A Avermectin derivative containing nitrobenzyl oxycarbonyl ester and its synthesis and use 内蒙古嘉宝仕生物科技股份有限公司 2024-08-02 — — CN claimed
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 — — CN claimed
CN-109627236-A Optoacoustic probe and the preparation method and application thereof for In vivo detection nitroreductase 华南师范大学 2019-04-16 — — CN claimed
EP-0804413-A1 NITROGEN MUSTARD PRODRUGS WITH NOVEL LIPOPHILIC PROTECTING GROUPS, AND PROCESSES FOR THEIR PRODUCTION CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-11-05 — — EP claimed
WO-1996022277-A1 NITROGEN MUSTARD PRODRUGS WITH NOVEL LIPOPHILIC PROTECTING GROUPS, AND PROCESSES FOR THEIR PRODUCTION CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-07-25 — — WO claimed
EP-0054971-A1 1-Carba-6-(1-hydroxyethyl)-2-carbonyl-penem-3-carboxylic acid, process for preparing and pharmaceutical compositions comprising the same MERCK & CO. INC. (US) 1982-06-30 — — EP claimed
US-4321197-A 1-Carba-6-(1-hydroxyethyl)-2-carbonyl-penem-3-carboxylic acid and preparation thereof MERCK & CO., INC. (US) 1982-03-23 — — US claimed
US-12637495-B2 De-immunized Shiga toxin a subunit effector polypeptides for applications in mammals MOLECULAR TEMPLATES, INC. (US) 2026-05-26 — — US disclosed
US-20260028372-A1 PROTEIN EXTRACTION, PROTEIN IDENTIFICATION, AND SPATIAL PROTEOMICS USING PHOTOCLEAVABLE ANCHOR IN SWELLABLE MATERIAL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2026-01-29 — — US disclosed
US-12365927-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2025-07-22 — — US disclosed
EP-4490168-A1 CTLA-4 BINDING MOLECULES COMPRISING SHIGA TOXIN A SUBUNIT SCAFFOLDS AND USES THEREOF Molecular Templates, Inc. (US) 2025-01-15 — — EP disclosed
US-20240409589-A1 MHC CLASS I EPITOPE DELIVERING POLYPEPTIDES ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2024-12-12 — — US disclosed
CN-110494443-B Shiga toxin a subunit effector polypeptides, shiga toxin effector scaffolds and cell targeting molecules for site-specific conjugation 分子模板公司 2024-12-06 — — CN disclosed
US-4206219-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-06-03 — — US disclosed
EP-0010316-A1 1-, 6- and 2-substituted-1-carba-2-penem-3-carboxylic acids, process for preparing the same and pharmaceutical compositions containing the same MERCK & CO. INC. (US) 1980-04-30 — — EP disclosed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 — — US disclosed
EP-0001628-A1 3-Substituted-6-substituted-7-oxo-1-azabicyclo (3.2.0)-hept-2-ene-2-carboxylic acid, its preparation and pharmaceutical compositions containing it MERCK & CO. INC. (US) 1979-05-02 — — EP disclosed
US-4150145-A ANTIBIOTIC, BACTERICIDES MERCK & CO., INC. (US) 1979-04-17 — — US disclosed
EP-0001265-A1 O-, N- and carboxyl derivatives of thienamycin sulfoxide and sulfone, their preparation and pharmaceuticals containing said compounds MERCK & CO. INC. (US) 1979-04-04 — — EP 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 (2 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-12637495-B2 De-immunized Shiga toxin a subunit effector polypeptides for applications in mammals FCGRT, CD2, CD22 ALDH1A1 4347/4885TSHR 512/4885MAOB 4705/4885
US-20260028372-A1 PROTEIN EXTRACTION, PROTEIN IDENTIFICATION, AND SPATIAL PROTEOMICS USING PHOTOCLEAVABLE ANCHOR IN SWELLABLE MATERIAL SRMS, EPCAM, PTMS ALDH1A1 2229/4885TSHR 4318/4885MAOB 3535/4885

“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.