SCHEMBL6408072

SCHEMBL6408072

FC(F)(F)c1ccc(-c2nnco2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.65
NPBWR1 P48145 1/20 0.59
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
HPGD P15428 1/20 0.53
TLR8 Q9NR97 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL17694561 0.83 NOTUM (0.78) NOTUMLMNAHTTHPGDTLR8
SCHEMBL31675268 0.83 NOTUM (0.46) NOTUMNPBWR1LMNAHTTHPGD
Ethoxycarbonyl Group SCHEMBL28826450 0.82 NOTUM (0.47) NOTUMNPBWR1LMNAHTTHPGD
SCHEMBL2610163 0.81 NOTUM (0.75) NOTUMLMNAHTTHPGDTLR8
SCHEMBL614454 0.81 NOTUM (0.63) NOTUMNPBWR1LMNAHTTHPGD
SCHEMBL28268977 0.79 NOTUM (0.61) NOTUMNPBWR1LMNAHTTHPGD
SCHEMBL6408779 0.79 NOTUM (1.00) NOTUMNPBWR1HTT
Benzene SCHEMBL27815360 0.78 NOTUM (0.63) NOTUMLMNAHTTHPGDTLR8
SCHEMBL14814390 0.78 NOTUM (1.00) NOTUMLMNAHTTHPGDTLR8
SCHEMBL29376264 0.77 TLR8 (0.58) NOTUMLMNAHTTHPGDTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119161335-A Azole derivative containing double bond structure and application thereof 沈阳药科大学 2024-12-20 CN disclosed
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
CN-116751174-A Synthesis method of aryl substituted 1,3, 4-oxadiazole derivative 铜陵欣诺科新材料有限公司 2023-09-15 CN disclosed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
CN-107056727-B 2-aryl-5-arylseleno-1, 3, 4-oxadiazole compound and preparation method thereof 温州医科大学 2020-12-11 CN disclosed
CN-104936963-B Sulfide derivative as kinases inhibitor 普罗齐纳斯有限公司 2017-11-28 CN disclosed
CN-107056727-A A kind of oxadiazole compound of 5 arylseleno of 2 aryl 1,3,4 and preparation method 温州医科大学 2017-08-18 CN disclosed
US-7507832-B2 Triazole PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-24 US disclosed
US-7507832-B2 Triazole PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-24 US disclosed
US-20070112045-A1 Triazole ppar modulators ELI LILLY AND COMPANY 2007-05-17 US disclosed
US-20070112045-A1 Triazole ppar modulators ELI LILLY AND COMPANY 2007-05-17 US disclosed
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2004014882-A2 PROTEASOME INHIBITORS : PEPTIDE DERIVATIVES HAVING C-TERMINAL HETEROARYL GROUPS AXYS PHARMACEUTICALS (US) 2004-02-19 WO disclosed
US-6605631-B1 Controlling fungi and pests; improved activity and plant tolerability BASF AKTIENGESELLSCHAFT (DE) 2003-08-12 US disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 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 (5 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885NPBWR1 1831/4885LMNA 2507/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885NPBWR1 811/4885LMNA 1919/4885
US-20070112045-A1 Triazole ppar modulators PPARD, PPARA, PPARG NOTUM 1060/4885NPBWR1 305/4885LMNA 3550/4885
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ NOTUM 1001/4885NPBWR1 2553/4885LMNA 736/4885
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN NOTUM 4288/4885NPBWR1 576/4885LMNA 2193/4885

“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.