SCHEMBL290718

SCHEMBL290718

O=C(O)/C=C/c1ccc(F)c(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.62
▸ AKR1C2 P52895 1/20 0.62
▸ MAOB P27338 5/20 0.58
▸ MAOA P21397 4/20 0.58
▸ VCP P55072 1/20 0.54
▸ KDM4E B2RXH2 6/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ CA12 O43570 3/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CA3 P07451 3/20 0.53
▸ CA4 P22748 3/20 0.53
▸ CA6 P23280 3/20 0.53
▸ CA5A P35218 3/20 0.53
▸ CA7 P43166 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ CA14 Q9ULX7 3/20 0.53
▸ CA5B Q9Y2D0 3/20 0.53
▸ AKR1B10 O60218 2/20 0.53
▸ AKR1B1 P15121 2/20 0.53

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
SCHEMBL290719 1.00 AKR1C3 (0.62) AKR1C3AKR1C2MAOBMAOAVCP
SCHEMBL2571095 0.86 AKR1C3 (0.67) AKR1C3AKR1C2MAOBMAOAKDM4E
SCHEMBL2571093 0.86 AKR1C3 (0.67) AKR1C3AKR1C2MAOBMAOAKDM4E
SCHEMBL8149850 0.84 MAOB (0.57) AKR1C3AKR1C2MAOBMAOAVCP
SCHEMBL17157614 0.84 MAOB (0.59) AKR1C3AKR1C2MAOBMAOAVCP
SCHEMBL17157612 0.84 MAOB (0.59) AKR1C3AKR1C2MAOBMAOAVCP
SCHEMBL8149848 0.84 MAOB (0.57) AKR1C3AKR1C2MAOBMAOAVCP
SCHEMBL407484 0.83 KDM4E (0.58) AKR1C3AKR1C2KDM4EHSD17B10CA12
SCHEMBL407485 0.83 KDM4E (0.58) AKR1C3AKR1C2KDM4EHSD17B10CA12
SCHEMBL29389045 0.83 KDM4E (0.58) AKR1C3AKR1C2KDM4EHSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747059-A1 PERVAPORATION COMPOSITE MEMBRANES McMaster University (CA) 2007-01-31 — — EP claimed
US-20060000778-A1 high-performance membrane designed for the selective removal of a polar fluid (water) from less polar fluids (organic solvents), by a pervaporation using a composite membrane contaiing ultrafiltration membrane as support ( e.g. cellulose acetate) and a crosslinked copolymer of anionic, cationic monomers MCMASTER UNIVERSITY (CA) 2006-01-05 — — US claimed
WO-2005102503-A1 PERVAPORATION COMPOSITE MEMBRANES MCMASTER UNIVERSITY (CA) 2005-11-03 — — WO claimed
US-20240300968-A1 6-SUBSTITUTED NAPHTHALENE-1,3-DISULFONIC ACID DERIVATIVES AS MODULATORS OF THE EXTRACELLULAR NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE (ENAMPT) FOR THE TREATMENT OF E.G. DIABETES UNIV MANCHESTER (GB) 2024-09-12 — — US disclosed
EP-4377300-A1 6-SUBSTITUTED NAPHTHALENE-1,3-DISULFONIC ACID DERIVATIVES AS MODULATORS OF THE EXTRACELLULAR NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE (ENAMPT) FOR THE TREATMENT OF E.G. DIABETES The University of Manchester (GB) 2024-06-05 — — EP disclosed
CN-117730077-A 6-substituted naphthalene-1, 3-disulfonic acid derivatives as modulators of extracellular nicotinamide ribophosphate transferase (ENAMPT) for the treatment of, for example, diabetes 曼彻斯特大学 2024-03-19 — — CN disclosed
CN-117264935-A Phenylalanine ammonia lyase mutant and application thereof 中国科学院成都生物研究所 2023-12-22 — — CN disclosed
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 — — EP disclosed
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 — — CN disclosed
WO-2023007147-A1 6-SUBSTITUTED NAPHTHALENE-1,3-DISULFONIC ACID DERIVATIVES AS MODULATORS OF THE EXTRACELLULAR NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE (ENAMPT) FOR THE TREATMENT OF E.G. DIABETES THE UNIVERSITY OF MANCHESTER (GB) 2023-02-02 — — WO disclosed
WO-2023007147-A1 6-SUBSTITUTED NAPHTHALENE-1,3-DISULFONIC ACID DERIVATIVES AS MODULATORS OF THE EXTRACELLULAR NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE (ENAMPT) FOR THE TREATMENT OF E.G. DIABETES THE UNIVERSITY OF MANCHESTER (GB) 2023-02-02 — — WO disclosed
WO-2001096297-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-12-20 — — WO disclosed
US-6239152-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY 2001-05-29 — — US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 — — US disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
US-5670498-A ADENOSINE ANTAGONISTS, TREATMENT OF PARKINSON*S DISEASE, ALZHEIMER*S DISEASE, OSTEOPOROSIS, DEPRESSION, ASTHMA KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-09-23 — — US disclosed
EP-0607607-B1 Xanthine derivatives KYOWA HAKKO KOGYO KK (JP) 1996-09-18 — — EP disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 — — US disclosed
EP-0607607-A1 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-07-27 — — 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 (1 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-20240300968-A1 6-SUBSTITUTED NAPHTHALENE-1,3-DISULFONIC ACID DERIVATIVES AS MODULATORS OF THE EXTRACELLULAR NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE (ENAMPT) FOR THE TREATMENT OF E.G. DIABETES NAPRT, NAMPT, NUDT1 AKR1C3 945/4885AKR1C2 993/4885MAOB 3726/4885

“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.

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