SCHEMBL19047331

SCHEMBL19047331

Cc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(=O)n2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSD A5PKW4 1/20 0.39
▸ TDP2 O95551 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ SCN5A Q14524 2/20 0.36
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ SMPD3 Q9NY59 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL22392723 0.86 PSD (0.42) PSDCYP1A2SCN5APARP1KDM4E
SCHEMBL22392719 0.83 NPBWR1 (0.40) PSDTDP2SLC2A1POLBL3MBTL1
SCHEMBL22392730 0.80 SCN5A (0.39) PSDTDP2SLC2A1POLBL3MBTL1
SCHEMBL19047363 0.79 PSD (0.38) PSDTDP2SLC2A1POLBL3MBTL1
SCHEMBL19032074 0.74 KDM5A (0.43) PSDTDP2SLC2A1POLBL3MBTL1
SCHEMBL9262847 0.73 PTGS2 (0.44) PSDSLC2A1POLBL3MBTL1PTGS2
SCHEMBL9266242 0.70 SLC2A1 (0.51) PSDSLC2A1POLBL3MBTL1PTGS2
SCHEMBL4472453 0.70 SLC2A1 (0.58) PSDSLC2A1POLBL3MBTL1PTGS2
SCHEMBL3561860 0.69 PTGS2 (0.40) SLC2A1PTGS2
SCHEMBL25658498 0.69 SLC2A1 (0.44) PSDSLC2A1POLBL3MBTL1PTGS2

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 13 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
WO-2017112678-A1 COMPOUNDS AND METHODS FOR TREATING, DETECTING, AND IDENTIFYING COMPOUNDS TO TREAT APICOMPLEXAN PARASITIC DISEASES MCLEOD RIMA (US) 2017-06-29 — — 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-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB PSD 3889/4885TDP2 4286/4885SLC2A1 4082/4885
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB PSD 3951/4885TDP2 4241/4885SLC2A1 4114/4885
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB PSD 3951/4885TDP2 4241/4885SLC2A1 4114/4885
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB PSD 3889/4885TDP2 4286/4885SLC2A1 4082/4885
US-20230181564-A1 Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites CYP11B2, CYP11B1, COX5B PSD 1082/4885TDP2 1502/4885SLC2A1 4289/4885

“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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