SCHEMBL3106873

SCHEMBL3106873

Cc1nc(C(F)F)c(C(=O)Nc2ccsc2CCC(C)C)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
THRB P10828 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
RECQL P46063 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.34
ADORA2A P29274 1/20 0.33
SCD O00767 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 2/20 0.32
TSHR P16473 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MAPK8 P45983 1/20 0.32

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
SCHEMBL4101289 0.87 RAB9A (0.36) MAPTRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL14253653 0.87 RAB9A (0.48) MAPTRAB9ASMN1; SMN2NPC1THRB
SCHEMBL3117697 0.86 RAB9A (0.35) MAPTRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL3113314 0.84 GAA (0.43) MAPTRAB9ASMN1; SMN2NPC1THRB
SCHEMBL3109031 0.81 RAB9A (0.36) MAPTRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL3121441 0.77 RAB9A (0.35) MAPTRAB9ASMN1; SMN2NPC1RECQL
SCHEMBL3114583 0.77 IRAK4 (0.42)
SCHEMBL12903702 0.73 HTT (0.51) MAPTRAB9ASMN1; SMN2NPC1RXFP1
SCHEMBL7786621 0.73 RAB9A (0.40) MAPTRAB9ASMN1; SMN2NPC1THRB
SCHEMBL2911307 0.72 RAB9A (0.46) RAB9ASMN1; SMN2NPC1RECQLHPGD

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-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-20130281500-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20130274099-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 MAPT 4293/4885RAB9A 1572/4885SMN1; SMN2 3004/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 MAPT 4293/4885RAB9A 1572/4885SMN1; SMN2 3004/4885
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations CAT, CYP1A2, GABBR1 MAPT 4023/4885RAB9A 1647/4885SMN1; SMN2 3381/4885
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 MAPT 4293/4885RAB9A 1572/4885SMN1; SMN2 3004/4885
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 MAPT 4293/4885RAB9A 1572/4885SMN1; SMN2 3004/4885
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 MAPT 4293/4885RAB9A 1572/4885SMN1; SMN2 3004/4885
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 MAPT 4293/4885RAB9A 1572/4885SMN1; SMN2 3004/4885

“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.