SCHEMBL505832

SCHEMBL505832

O=C(O)c1c(F)cc(-c2ccccc2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 3/20 0.61
AKR1C1 Q04828 3/20 0.61
EGFR P00533 1/20 0.46
KMO O15229 1/20 0.45
DHODH Q02127 7/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PTPN1 P18031 1/20 0.44
LMNA P02545 1/20 0.44
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
HNF4A P41235 2/20 0.42
ACMSD Q8TDX5 2/20 0.42
DHFR P00374 1/20 0.42
MCL1 Q07820 1/20 0.42
CDC25B P30305 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 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
SCHEMBL28535010 0.91 AKR1C2 (0.53) AKR1C2AKR1C1EGFRKMODHODH
Biphenyl SCHEMBL2838517 0.89 AKR1C2 (0.50) AKR1C2AKR1C1KMODHODHKDM4E
SCHEMBL28888036 0.89 AKR1C2 (0.45) AKR1C2AKR1C1KMOKDM4EHSD17B10
SCHEMBL10029672 0.87 AKR1C2 (0.56) AKR1C2AKR1C1EGFRKMODHODH
SCHEMBL17177745 0.86 AKR1C2 (0.44) AKR1C2AKR1C1KMOKDM4EHSD17B10
Biphenyl SCHEMBL2831439 0.84 CES2 (0.56) AKR1C2AKR1C1KMOLMNACDC25B
SCHEMBL26352578 0.83 AKR1C2 (0.53) AKR1C2AKR1C1EGFRDHODHKDM4E
SCHEMBL17848889 0.83 AKR1C2 (0.53) AKR1C2AKR1C1EGFRKMODHODH
Biphenyl SCHEMBL2835088 0.82 AKR1C2 (0.47) AKR1C2AKR1C1EGFRKMODHODH
SCHEMBL21567703 0.82 MCL1 (0.49) AKR1C2AKR1C1DHODHKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114891234-B Copper metal-organic framework material for storing propyne gas and preparation method thereof 江西师范大学 2023-05-16 CN claimed
CN-114891234-A Copper metal-organic framework material for storing propyne gas and preparation method thereof 江西师范大学 2022-08-12 CN claimed
CN-114891234-B Copper metal-organic framework material for storing propyne gas and preparation method thereof 江西师范大学 2023-05-16 CN disclosed
CN-114891234-B Copper metal-organic framework material for storing propyne gas and preparation method thereof 江西师范大学 2023-05-16 CN disclosed
CN-114891234-A Copper metal-organic framework material for storing propyne gas and preparation method thereof 江西师范大学 2022-08-12 CN disclosed
CN-114891234-A Copper metal-organic framework material for storing propyne gas and preparation method thereof 江西师范大学 2022-08-12 CN disclosed
EP-3233889-B1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO LTD (CN) 2022-07-06 EP disclosed
EP-3676263-B1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RES CENTER B V (NL) 2021-10-06 EP disclosed
US-11053230-B2 3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. 2021-07-06 US disclosed
EP-3676263-A1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Netherlands Translational Research Center B.V. (NL) 2020-07-08 EP disclosed
US-20200181128-A1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2020-06-11 US disclosed
EP-1644320-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-04-12 EP disclosed
EP-1608619-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
EP-1608617-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
WO-2005009941-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-02-03 WO disclosed
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease ELI LILLY AND COMPANY 2004-12-02 US disclosed
WO-2004094363-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
WO-2004094382-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
EP-1436249-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-07-14 EP disclosed
WO-2003027061-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-03 WO 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-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease CHRM1, CHRM2, CHRM4 AKR1C2 1115/4885AKR1C1 871/4885EGFR 572/4885
US-11053230-B2 3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 AKR1C2 145/4885AKR1C1 135/4885EGFR 1427/4885
US-20200181128-A1 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 AKR1C2 145/4885AKR1C1 135/4885EGFR 1427/4885

“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.