SCHEMBL6932050

SCHEMBL6932050

O=[N+]([O-])c1ccc(COP(=O)(Cl)OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.70
IDO1 P14902 2/20 0.58
LOXL2 Q9Y4K0 1/20 0.48
MAOB P27338 1/20 0.48
PGK1 P00558 1/20 0.47
PGK2 P07205 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 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
SCHEMBL5983768 0.85 AKR1C3 (0.74) AKR1C3IDO1LOXL2MAOBPGK1
SCHEMBL4989626 0.83 AKR1C3 (0.53) AKR1C3IDO1LOXL2TSHRCA1
SCHEMBL10568121 0.83 AKR1C3 (0.66) AKR1C3IDO1LOXL2MAOBPGK1
SCHEMBL11544092 0.82 AKR1C3 (0.70) AKR1C3IDO1LOXL2MAOBPGK1
SCHEMBL5069158 0.82 AKR1C3 (1.00) AKR1C3IDO1LOXL2MAOBPGK1
SCHEMBL10766432 0.82 AKR1C3 (0.70) AKR1C3IDO1LOXL2MAOBPGK1
SCHEMBL5983772 0.82 AKR1C3 (0.81) AKR1C3IDO1LOXL2MAOBPGK1
SCHEMBL18086502 0.82 AKR1C3 (0.52) AKR1C3IDO1MAOBRAB9ANPC1
SCHEMBL8062311 0.81 IDO1 (0.70) AKR1C3IDO1LOXL2MAOBRAB9A
SCHEMBL8779946 0.79 AKR1C3 (0.71) AKR1C3IDO1LOXL2MAOBPGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118599281-B Composite material for 3D printing and preparation method thereof 深圳永昌和科技有限公司 2025-02-11 CN claimed
CN-118367216-B Sodium ion battery electrolyte 吉安冠佳新能源开发有限公司 2024-10-29 CN claimed
CN-118599281-A Composite material for 3D printing and preparation method thereof 深圳永昌和科技有限公司 2024-09-06 CN claimed
CN-118367216-A Sodium ion battery electrolyte 吉安冠佳新能源开发有限公司 2024-07-19 CN claimed
EP-0998518-B1 PROCESS FOR THE PREPARATION OF POLYETHER PHOSPHATES AMERSHAM HEALTH AS (NO) 2003-12-10 EP claimed
US-6500917-B1 REACTING SUCH AS POLYETHYLENE GLYCOL WITH A DIARYL- OR DIARALKYL- HALOPHOSPHATE AND REDUCTIVELY CLEAVING ARYL GROUPS; PHOSPHATE MODIFICATION WITH LOW IMPURITIES AMERSHAM HEALTH AS (NO) 2002-12-31 US claimed
EP-0998518-A1 PROCESS FOR THE PREPARATION OF POLYETHER PHOSPHATES NYCOMED IMAGING AS (NO) 2000-05-10 EP claimed
WO-1999005200-A1 PROCESS FOR THE PREPARATION OF POLYETHER PHOSPHATES NYCOMED IMAGING AS (NO) 1999-02-04 WO claimed
EP-4744667-A2 EFFICIENT AND SCALABLE SYNTHESES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, MODIFIED DERIVATIVES THEREOF, PHOSPHORYLATED ANALOGS THEREOF, ADENYLYL DINUCLEOTIDE CONJUGATES THEREOF, AND NOVEL CRYSTALLINE FORMS THEREOF The Queen's University Of Belfast (GB) 2026-05-20 EP disclosed
US-20250163093-A1 EFFICIENT AND SCALABLE SYNTHESES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, MODIFIED DERIVATIVES THEREOF, PHOSPHORYLATED ANALOGS THEREOF, ADENYLYL DINUCLEOTIDE CONJUGATES THEREOF, AND NOVEL CRYSTALLINE FORMS THEREOF THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2025-05-22 US disclosed
CN-110662542-B Nicotinoyl nucleosides and reduced nicotinoyl nucleosides, modified derivatives thereof, phosphorylated analogs thereof, adenosine dinucleotide conjugates thereof, and efficient and scalable synthesis of novel crystalline forms thereof 英国贝尔法斯特女王大学 2025-04-08 CN disclosed
CN-118599281-B Composite material for 3D printing and preparation method thereof 深圳永昌和科技有限公司 2025-02-11 CN disclosed
CN-119320417-A Nicotinoyl nucleosides and reduced nicotinoyl nucleosides, modified derivatives thereof, phosphorylated analogs, adenosine dinucleotide conjugates, and efficient and scalable synthesis of novel crystalline forms 英国贝尔法斯特女王大学 2025-01-17 CN disclosed
US-12195494-B2 Efficient and scalable syntheses of nicotinoyl ribosides and reduced nicotinoyl ribosides, modified derivatives thereof, phosphorylated analogs thereof, adenylyl dinucleotide conjugates thereof, and novel crystalline forms thereof THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2025-01-14 US disclosed
US-4208330-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1980-06-17 US disclosed
US-4196211-A ANTIBIOTIC MERCK & CO., INC. (US) 1980-04-01 US disclosed
US-4194047-A Substituted N-methylene derivatives of thienamycin MERCK & CO., INC. (US) 1980-03-18 US disclosed
US-4172144-A Schiff's base derivatives of thienamycin MERCK & CO., INC. (US) 1979-10-23 US 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-20250163093-A1 EFFICIENT AND SCALABLE SYNTHESES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, MODIFIED DERIVATIVES THEREOF, PHOSPHORYLATED ANALOGS THEREOF, ADENYLYL DINUCLEOTIDE CONJUGATES THEREOF, AND NOVEL CRYSTALLINE FORMS THEREOF NAPRT, NAMPT, CD38 AKR1C3 633/4885IDO1 3273/4885LOXL2 3919/4885
US-12195494-B2 Efficient and scalable syntheses of nicotinoyl ribosides and reduced nicotinoyl ribosides, modified derivatives thereof, phosphorylated analogs thereof, adenylyl dinucleotide conjugates thereof, and novel crystalline forms thereof NAPRT, NAMPT, CD38 AKR1C3 633/4885IDO1 3273/4885LOXL2 3919/4885

“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.