SCHEMBL77592

SCHEMBL77592

CC(C)(C)c1csc(NC(=O)c2ccccc2)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.77
TAS1R3 Q7RTX0 1/20 0.77
TAS1R1 Q7RTX1 1/20 0.77
TAS1R2 Q8TE23 1/20 0.77
NPC1 O15118 9/20 0.69
RAB9A P51151 9/20 0.69
KMT2A Q03164 6/20 0.69
MEN1 O00255 5/20 0.69
ALDH1A1 P00352 4/20 0.68
MAPK1 P28482 2/20 0.68
POLB P06746 1/20 0.68
LMNA P02545 3/20 0.67
NPSR1 Q6W5P4 3/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
KDM4E B2RXH2 3/20 0.63
HTT P42858 2/20 0.61
MAPT P10636 1/20 0.61

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
SCHEMBL77958 0.88 SMN1; SMN2 (0.77) SMN1; SMN2TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL20791858 0.88 SMN1; SMN2 (0.77) SMN1; SMN2TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL704723 0.87 SMN1; SMN2 (1.00) SMN1; SMN2TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL20791859 0.86 NPC1 (0.76) SMN1; SMN2TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL1968036 0.85 NPC1 (0.62) SMN1; SMN2TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL17175811 0.85 SMN1; SMN2 (0.72) SMN1; SMN2TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL31729501 0.84 SMN1; SMN2 (0.63) SMN1; SMN2TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL16607196 0.83 SMN1; SMN2 (0.70) SMN1; SMN2TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL77204 0.83 SMN1; SMN2 (0.70) SMN1; SMN2TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL22728466 0.83 NPC1 (0.66) SMN1; SMN2TAS1R3TAS1R1TAS1R2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119646-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 US disclosed
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 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 (3 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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 SMN1; SMN2 4339/4885TAS1R3 646/4885TAS1R1 682/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 SMN1; SMN2 4458/4885TAS1R3 725/4885TAS1R1 748/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 SMN1; SMN2 4328/4885TAS1R3 659/4885TAS1R1 669/4885

“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.