SCHEMBL3117697

SCHEMBL3117697

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 1/20 0.34
HPGD P15428 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
TP53 P04637 2/20 0.32
CASP3 P42574 2/20 0.32
SENP8 Q96LD8 2/20 0.32
SENP7 Q9BQF6 2/20 0.32
SENP6 Q9GZR1 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
F10 P00742 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL4101289 0.86 RAB9A (0.36) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL3106873 0.86 MAPT (0.37) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL3105863 0.84 GAA (0.44) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL3121441 0.80 RAB9A (0.35) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL3100950 0.77 IRAK4 (0.38) ATM
SCHEMBL3109031 0.76 RAB9A (0.36) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL3113314 0.73 GAA (0.43) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL14253653 0.73 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL12903702 0.73 HTT (0.51) RAB9ANPC1SMN1; SMN2MAPTRECQL
SCHEMBL2911307 0.72 RAB9A (0.46) RAB9ANPC1SMN1; SMN2RECQLHPGD

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-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-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
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 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.