SCHEMBL77715

SCHEMBL77715

CC(C)(C)c1csc(NC(=O)C2CC2)n1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.89
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 4/20 0.56
MAPK1 P28482 2/20 0.56
POLB P06746 2/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
LMNA P02545 5/20 0.56
NPSR1 Q6W5P4 3/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 2/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 2/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL78747 0.94 ATAD2 (0.94) ATAD2RAB9ANPC1KMT2AALDH1A1
SCHEMBL16771556 0.94 ATAD2 (1.00) ATAD2RAB9ANPC1KMT2AALDH1A1
SCHEMBL10078877 0.93 ATAD2 (0.92) ATAD2RAB9ANPC1KMT2AALDH1A1
SCHEMBL27149772 0.90 ATAD2 (0.78) ATAD2RAB9ANPC1KMT2AALDH1A1
SCHEMBL14047503 0.88 ATAD2 (0.70) ATAD2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9892888 0.82 ATAD2 (0.67) ATAD2RAB9ANPC1KMT2AALDH1A1
SCHEMBL20788543 0.82 NPC1 (0.77) ATAD2RAB9ANPC1KMT2AALDH1A1
SCHEMBL77075 0.81 ATAD2 (0.64) ATAD2RAB9ANPC1KMT2AALDH1A1
SCHEMBL2608447 0.80 ATAD2 (0.63) ATAD2RAB9ANPC1KMT2AALDH1A1
SCHEMBL3790984 0.80 NPC1 (0.66) ATAD2RAB9ANPC1KMT2AALDH1A1

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-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-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-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 ATAD2 2381/4885RAB9A 3465/4885NPC1 3856/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 ATAD2 2631/4885RAB9A 3267/4885NPC1 3571/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 ATAD2 2466/4885RAB9A 3411/4885NPC1 3836/4885

“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.