SCHEMBL77486

SCHEMBL77486

CC(C)(C)c1csc(NC(=O)CCCc2ccccc2)n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.86
MEN1 O00255 4/20 0.86
ALDH1A1 P00352 5/20 0.58
POLB P06746 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 2/20 0.58
PDE5A O76074 1/20 0.57
PDE1A P54750 1/20 0.57
PDE1B Q01064 1/20 0.57
PDE1C Q14123 1/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 1/20 0.57
RECQL P46063 1/20 0.57
MAOB P27338 5/20 0.55
ADORA2B P29275 3/20 0.55
ADORA1 P30542 3/20 0.53
ADORA2A P29274 2/20 0.53
ADORA3 P0DMS8 1/20 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
SCHEMBL10078878 0.93 KMT2A (1.00) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL77834 0.85 KMT2A (0.77) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL10082482 0.81 PDE5A (0.68) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL77371 0.81 KMT2A (0.63) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL10078876 0.81 KMT2A (0.63) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL77064 0.81 KMT2A (0.70) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL78204 0.80 KMT2A (0.62) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL10078950 0.80 KMT2A (0.69) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL10078920 0.80 KMT2A (0.69) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL77089 0.79 KMT2A (0.67) KMT2AMEN1ALDH1A1POLBNPC1

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.