Sugi Predict

Sugi Predict / Compounds / SCHEMBL561018

SCHEMBL561018

SCHEMBL561018

O=[N+]([O-])c1cc(CO)cc(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.48
▸ TSHR P16473 4/20 0.47
▸ MEN1 O00255 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TTR P02766 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RECQL P46063 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
SCHEMBL716259 0.95 CYP19A1 (0.54) CYP19A1TSHRMEN1HTTKMT2A
SCHEMBL18407603 0.92 TSHR (0.56) CYP19A1TSHRMEN1HTTKMT2A
SCHEMBL30319435 0.92 TSHR (0.56) CYP19A1TSHRMEN1HTTKMT2A
SCHEMBL16960540 0.90 HTT (0.48) CYP19A1TSHRMEN1HTTKMT2A
SCHEMBL31347504 0.87 ACHE (0.54) CYP19A1TSHRMEN1HTTKMT2A
SCHEMBL11025268 0.87 ACHE (0.54) CYP19A1TSHRMEN1HTTKMT2A
SCHEMBL25112391 0.87 TSHR (0.38) CYP19A1TSHRMEN1HTTKMT2A
SCHEMBL16950489 0.87 ALOX5 (0.45) CYP19A1TSHRMEN1HTTKMT2A
SCHEMBL18538951 0.87 TTR (0.43) CYP19A1TSHRMEN1HTTKMT2A
SCHEMBL922768 0.86 NPC1 (0.47) CYP19A1TSHRMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527320-B Semi-cucurbituril C33H39O3N9 containing aniline structure and synthetic method thereof 贵州大学 2022-05-17 — — CN claimed
CN-113527320-A Half cucurbituril C containing aniline structure33H39O3N9And method for synthesizing the same 贵州大学 2021-10-22 — — CN claimed
US-20200261207-A1 PRO-HEALING ELASTIC ANGIOGENIC MICROPOROUS VASCULAR GRAFT UNIVERSITY OF WASHINGTON (US) 2020-08-20 — — US claimed
US-10667897-B2 Pro-healing elastic angiogenic microporous vascular graft UNIVERSITY OF WASHINGTON (US) 2020-06-02 — — US claimed
US-20180206971-A1 PRO-HEALING ELASTIC ANGIOGENIC MICROPOROUS VASCULAR GRAFT UNIVERSITY OF WASHINGTON (US) 2018-07-26 — — US claimed
US-5709737-A AQUEOUS LIQUID VEHICLE, COLORANT, ALCOHOL ADDITIVE; SUITABLE FOR MICROWAVE DRYING PROCESSES XEROX CORPORATION (US) 1998-01-20 — — US claimed
US-20250288624-A1 LONG-TERM STABILIZATION, FORMULATION AND TABLETING OF LIVE MICROBIAL CELLS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2025-09-18 — — US disclosed
US-20250136605-A1 IMPROVED METHODS FOR PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2025-05-01 — — US disclosed
US-11981687-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2024-05-14 — — US disclosed
CN-117813287-A Improved process for the preparation of cytotoxic benzodiazepine derivatives 伊缪诺金公司 2024-04-02 — — CN disclosed
US-20240101584-A1 TARGETED DELIVERY OF 1,2,4,5 TETRAOXANE COMPOUNDS AND THEIR USES Westlake University (CN) 2024-03-28 — — US disclosed
EP-3880656-B1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2024-03-20 — — EP disclosed
EP-4286387-A2 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2023-12-06 — — EP disclosed
EP-0791006-B1 POLYANIONIC BENZYLGLYCOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PROD (US) 2000-01-26 — — EP disclosed
EP-0950674-A1 Process for the preparation of thermoplastic polyurethanes BASF AKTIENGESELLSCHAFT (DE) 1999-10-20 — — EP disclosed
EP-0791005-B1 SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS AMERICAN HOME PROD (US) 1999-09-29 — — EP disclosed
US-5709737-A AQUEOUS LIQUID VEHICLE, COLORANT, ALCOHOL ADDITIVE; SUITABLE FOR MICROWAVE DRYING PROCESSES XEROX CORPORATION (US) 1998-01-20 — — US disclosed
US-5565432-A PREVENTING RESTENOSIS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-10-15 — — US disclosed
US-5498775-A Polyanionic benzylglycosides as inhibitors of smooth muscle cell proliferation AMERICAN HOME PRODUCTS CORPORATION (US) 1996-03-12 — — US disclosed
US-4321406-A Vinylcyclopropane monomers and oligomers EMERY INDUSTRIES, INC. (US) 1982-03-23 — — 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 (3 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-11981687-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 CYP19A1 707/4885TSHR 654/4885MEN1 2163/4885
US-20240101584-A1 TARGETED DELIVERY OF 1,2,4,5 TETRAOXANE COMPOUNDS AND THEIR USES AIFM2, GPX1, GPX4 CYP19A1 2500/4885TSHR 1443/4885MEN1 369/4885
US-20250136605-A1 IMPROVED METHODS FOR PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRA4 CYP19A1 618/4885TSHR 902/4885MEN1 2336/4885

“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.