SCHEMBL3109031

SCHEMBL3109031

Cc1nc(C(F)F)c(C(=O)Nc2ccsc2C(C)CC(C)C)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.36
NPC1 O15118 8/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 3/20 0.36
RECQL P46063 1/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
CYP2C9 P11712 1/20 0.33
TP53 P04637 2/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
F10 P00742 1/20 0.31
FFAR2 O15552 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL3121441 0.88 RAB9A (0.35) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL6777681 0.87 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL3114202 0.84 GAA (0.43) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL7786621 0.82 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL3106873 0.81 MAPT (0.37) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL13304542 0.79 MAPT (0.38) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL3103990 0.77 IRAK4 (0.37)
SCHEMBL4101289 0.77 RAB9A (0.36) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL3117697 0.76 RAB9A (0.35) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL12903702 0.73 HTT (0.51) RAB9ANPC1SMN1; SMN2MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10130268-A None JP disclosed
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-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
JP-H10130268-A SUBSTITUTED THIOPHENE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT MITSUI CHEM INC 1998-05-19 JP 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 RAB9A 1572/4885NPC1 2546/4885SMN1; SMN2 3004/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 RAB9A 1572/4885NPC1 2546/4885SMN1; SMN2 3004/4885
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations CAT, CYP1A2, GABBR1 RAB9A 1647/4885NPC1 2630/4885SMN1; SMN2 3381/4885
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 RAB9A 1572/4885NPC1 2546/4885SMN1; SMN2 3004/4885
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 RAB9A 1572/4885NPC1 2546/4885SMN1; SMN2 3004/4885
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 RAB9A 1572/4885NPC1 2546/4885SMN1; SMN2 3004/4885
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 RAB9A 1572/4885NPC1 2546/4885SMN1; 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.