SCHEMBL3108919

SCHEMBL3108919

CC(C)CCc1sccc1NC(=O)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
STING1 Q86WV6 1/20 0.42
GAA P10253 1/20 0.42
IRAK4 Q9NWZ3 12/20 0.41
NTRK1 P04629 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL14214850 0.94 LMNA (0.49) LMNAPOLBSTING1GAAIRAK4
SCHEMBL12798723 0.86 LMNA (0.52) LMNAPOLBSTING1GAAIRAK4
SCHEMBL3117837 0.86 LMNA (0.52) LMNAPOLBSTING1GAAIRAK4
SCHEMBL3114583 0.84 IRAK4 (0.42) IRAK4
SCHEMBL7457962 0.83 LMNA (0.55) LMNAPOLBSTING1GAAIRAK4
SCHEMBL14185462 0.82 LMNA (0.59) LMNAPOLBSTING1GAAIRAK4
SCHEMBL3112202 0.82 NNMT (0.34)
Penthiopyrad SCHEMBL14364841 0.81 LMNA (0.51) LMNAPOLBSTING1GAAIRAK4
Penthiopyrad SCHEMBL18701 0.81 LMNA (0.51) LMNAPOLBSTING1GAAIRAK4
Penthiopyrad SCHEMBL14364842 0.81 LMNA (0.51) LMNAPOLBSTING1GAAIRAK4

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
US-8575064-B2 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2013-11-05 US disclosed
US-20130281496-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 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-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
CN-101184391-B Substance combinations with synergistic fungicidal activity BAYER CROPSCIENCE AG 2013-07-24 CN disclosed
CN-102907432-A Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG 2013-02-06 CN disclosed
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 US disclosed
CN-101184391-A Substance combinations with synergistic fungicidal activity BAYER CROPSCIENCE AG (DE) 2008-05-21 CN 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 3819/4885POLB 3489/4885STING1 3160/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885POLB 3489/4885STING1 3160/4885
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations CAT, CYP1A2, GABBR1 LMNA 3876/4885POLB 3387/4885STING1 3714/4885
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885POLB 3489/4885STING1 3160/4885
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885POLB 3489/4885STING1 3160/4885
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885POLB 3489/4885STING1 3160/4885
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885POLB 3489/4885STING1 3160/4885

“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.