SCHEMBL77089

SCHEMBL77089

CCCC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.67
MEN1 O00255 4/20 0.67
ALDH1A1 P00352 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HPGD P15428 3/20 0.61
LMNA P02545 6/20 0.60
POLB P06746 2/20 0.60
MAPT P10636 2/20 0.60
RECQL P46063 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
ATAD2 Q6PL18 1/20 0.56
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
MAPK1 P28482 2/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
GAA P10253 2/20 0.54
NPSR1 Q6W5P4 3/20 0.53

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
SCHEMBL77371 0.90 KMT2A (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL78204 0.89 KMT2A (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL77628 0.88 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL77670 0.84 KMT2A (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL10078876 0.84 KMT2A (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL77191 0.83 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL13681846 0.81 MEN1 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL10078878 0.81 KMT2A (1.00) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL77898 0.81 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL20788543 0.80 NPC1 (0.77) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD

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 KMT2A 609/4885MEN1 930/4885ALDH1A1 1530/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 KMT2A 519/4885MEN1 741/4885ALDH1A1 1955/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 KMT2A 663/4885MEN1 938/4885ALDH1A1 1541/4885

“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.