SCHEMBL22556734

SCHEMBL22556734

CNc1cc(C)nc(S)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.56
NOS2 P35228 1/20 0.56
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 1/20 0.43
NUDT1 P36639 5/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
POLB P06746 2/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
TLR8 Q9NR97 1/20 0.31
NCF1 P14598 1/20 0.30

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
SCHEMBL9679525 0.80 GAA (0.41) NOS3NOS2ALDH1A1CYP1A2CYP2D6
SCHEMBL51447 0.77
SCHEMBL13236189 0.77 TRPM8 (0.42) NOS3NOS2ALDH1A1CYP1A2MAPT
SCHEMBL4915813 0.76 NOS3 (0.60) NOS3NOS2ALOX15ALDH1A1NUDT1
Hydrochloric Acid SCHEMBL5909839 0.75 POLB (0.46) NOS3NOS2POLBAPOBEC3GGAA
SCHEMBL28569827 0.75 POLB (0.46) NOS3NOS2ALDH1A1POLBAPOBEC3G
SCHEMBL12499637 0.74 NOS3 (0.58) NOS3NOS2ALOX15ALDH1A1NUDT1
SCHEMBL3474098 0.73 NOS3 (0.56) NOS3NOS2ALOX15ALDH1A1NUDT1
SCHEMBL30166651 0.73 NUDT1 (0.57) NOS3NOS2ALOX15NUDT1CYP1A2
SCHEMBL12639130 0.73 NUDT1 (0.57) NOS3NOS2ALOX15NUDT1CYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232448-B1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR Halo Therapeutics Ltd (GB) 2025-05-07 EP disclosed
EP-3956323-B1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Halo Therapeutics Ltd (GB) 2025-03-05 EP disclosed
US-20240158382-A1 Agonists Of Free Fatty Acid Receptor 1 And Their Use In Diseases Associated With Said Receptor Halo Therapeutics Ltd (GB) 2024-05-16 US disclosed
CN-116745289-A Agonists of free fatty acid receptor 1 and their use in diseases associated with said receptor 奥洛治疗有限公司 2023-09-12 CN disclosed
EP-4232448-A1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR Halo Therapeutics Ltd (GB) 2023-08-30 EP disclosed
US-20220274968-A1 Oxazole And Oxadiazole Derivatives Useful As Agonists Of Free Fatty Acid Receptor 1 GBIOTECH S.À.R.L. (CH) 2022-09-01 US disclosed
WO-2022083853-A1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR GBIOTECH S.À.R.L. (CH) 2022-04-28 WO disclosed
WO-2022083853-A1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR GBIOTECH S.À.R.L. (CH) 2022-04-28 WO disclosed
EP-3956323-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Gbiotech S.À.R.L. (CH) 2022-02-23 EP disclosed
WO-2020211956-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 GBIOTECH S.À.R.L. (CH) 2020-10-22 WO disclosed
WO-2020211956-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 GBIOTECH S.À.R.L. (CH) 2020-10-22 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 (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-20240158382-A1 Agonists Of Free Fatty Acid Receptor 1 And Their Use In Diseases Associated With Said Receptor FFAR1, FFAR2, FFAR3 NOS3 1780/4885NOS2 1992/4885ALOX15 379/4885
US-20220274968-A1 Oxazole And Oxadiazole Derivatives Useful As Agonists Of Free Fatty Acid Receptor 1 FFAR2, FFAR1, FFAR3 NOS3 758/4885NOS2 1104/4885ALOX15 111/4885

“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.