SCHEMBL78859

SCHEMBL78859

COCCOC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
KMT2A Q03164 8/20 0.53
NPC1 O15118 8/20 0.52
RAB9A P51151 8/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
MAPK1 P28482 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 6/20 0.52
ATAD2 Q6PL18 1/20 0.51
KDM4E B2RXH2 3/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 2/20 0.51

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
SCHEMBL77461 0.88 ATAD2 (0.52) SMN1; SMN2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL77077 0.84 MAPK1 (0.57) SMN1; SMN2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL10078920 0.84 KMT2A (0.69) SMN1; SMN2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL77674 0.83 MAPK1 (0.56) SMN1; SMN2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL77670 0.82 KMT2A (0.63) SMN1; SMN2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL77566 0.82 KMT2A (0.57) SMN1; SMN2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL3188023 0.81 ATAD2 (0.51) SMN1; SMN2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL77679 0.81 ATAD2 (0.51) SMN1; SMN2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL10078987 0.80 ATAD2 (0.50) SMN1; SMN2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL10081941 0.80 MAPK1 (0.57) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1

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-8119645-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-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 (2 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-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.