SCHEMBL22392730

SCHEMBL22392730

Cc1[nH]c2ncnn2c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 4/20 0.39
▸ NPBWR1 P48145 2/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ MBOAT4 Q96T53 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PSD A5PKW4 1/20 0.37
▸ PDE2A O00408 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ SCN10A Q9Y5Y9 3/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KIF11 P52732 1/20 0.34

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
SCHEMBL22392719 0.81 NPBWR1 (0.40) SCN5ANPBWR1MCHR1SLC2A1POLB
SCHEMBL19047331 0.80 PSD (0.39) SCN5ANPBWR1MCHR1SLC2A1POLB
SCHEMBL19047363 0.79 PSD (0.38) SCN5ANPBWR1MCHR1SLC2A1POLB
SCHEMBL19032074 0.76 KDM5A (0.43) SCN5ANPBWR1MCHR1SLC2A1POLB
SCHEMBL22392723 0.74 PSD (0.42) SCN5APSD
SCHEMBL9262847 0.71 PTGS2 (0.44) SCN5ASLC2A1POLBL3MBTL1PSD
SCHEMBL9266242 0.70 SLC2A1 (0.51) SCN5ASLC2A1POLBL3MBTL1PSD
SCHEMBL4472453 0.70 SLC2A1 (0.58) SCN5ANPBWR1MCHR1SLC2A1POLB
SCHEMBL19002068 0.68 KIF11 (0.46) SLC2A1PTGS2KIF11
SCHEMBL3561860 0.67 PTGS2 (0.40) SLC2A1SCN9APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO (US) 2024-04-23 — — US claimed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 — — US claimed
US-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2020-09-10 — — US claimed
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO (US) 2024-04-23 — — US disclosed
US-20230181564-A1 Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites THE UNIVERSITY OF SHEFFIELD (GB) 2023-06-15 — — US disclosed
US-20230181564-A1 Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites THE UNIVERSITY OF SHEFFIELD (GB) 2023-06-15 — — US disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 — — US disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 — — US disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 — — US disclosed
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO 2022-08-16 — — US disclosed
US-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2020-09-10 — — US disclosed
US-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2020-09-10 — — US 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-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB SCN5A 4730/4885NPBWR1 3420/4885MCHR1 2039/4885
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB SCN5A 4734/4885NPBWR1 3464/4885MCHR1 1923/4885
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB SCN5A 4734/4885NPBWR1 3464/4885MCHR1 1923/4885
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB SCN5A 4730/4885NPBWR1 3420/4885MCHR1 2039/4885
US-20230181564-A1 Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites CYP11B2, CYP11B1, COX5B SCN5A 2838/4885NPBWR1 4548/4885MCHR1 4058/4885

“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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