SCHEMBL3115186

SCHEMBL3115186

CC(C)CCc1sccc1NC(=O)c1cn(C)cc1C(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADORA2A P29274 1/20 0.32
PRNP P04156 1/20 0.31
PPARG P37231 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
DHODH Q02127 1/20 0.31
WDR5 P61964 7/20 0.31
ATM Q13315 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL3105571 0.86 LMNA (0.31) LMNAMAPTHTTL3MBTL1PRNP
SCHEMBL3112202 0.84 NNMT (0.34) L3MBTL1NPSR1DHODHWDR5
SCHEMBL3114583 0.82 IRAK4 (0.42) IRAK4
SCHEMBL3113328 0.80 LMNA (0.32) LMNAMAPTHTTL3MBTL1PRNP
SCHEMBL3121431 0.78 CCR8 (0.33) MAPTADORA2APRNPPPARGNPSR1
SCHEMBL3108919 0.77 LMNA (0.51) LMNAATMIRAK4
SCHEMBL3114988 0.77 LMNA (0.31) LMNAMAPTHTTL3MBTL1PRNP
SCHEMBL5078617 0.72 DHODH (0.39) LMNAMAPTDHODHATMIRAK4
SCHEMBL3117713 0.71 MAPT (0.37) LMNAMAPTL3MBTL1ADORA2ARXFP1
SCHEMBL3106873 0.71 MAPT (0.37) LMNAMAPTADORA2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575064-B2 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2013-11-05 US disclosed
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130281496-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 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 (7 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-20130281496-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885MAPT 4293/4885HTT 4294/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885MAPT 4293/4885HTT 4294/4885
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations CAT, CYP1A2, GABBR1 LMNA 3876/4885MAPT 4023/4885HTT 4275/4885
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885MAPT 4293/4885HTT 4294/4885
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885MAPT 4293/4885HTT 4294/4885
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885MAPT 4293/4885HTT 4294/4885
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885MAPT 4293/4885HTT 4294/4885

“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.