SCHEMBL91576

SCHEMBL91576

CCc1csc(NC=O)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.37
CCR4 P51679 1/20 0.35
MEN1 O00255 1/20 0.35
PDE5A O76074 1/20 0.35
GCK P35557 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
AOC3 Q16853 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33

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
Acetic Acid SCHEMBL8059245 0.92 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AGAAMEN1PDE5A
SCHEMBL9050304 0.81 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AGAAMEN1PDE5A
SCHEMBL2448139 0.79 SCD (0.39) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL8982570 0.79 KMT2A (0.35) SMN1; SMN2KMT2AGAAMEN1PDE5A
SCHEMBL5685884 0.79 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AGAAMEN1LMNA
SCHEMBL5213000 0.77 GABRA5 (0.53) SMN1; SMN2KMT2AGAAMEN1PDE5A
SCHEMBL10134063 0.77 ALDH1A1 (0.58) SMN1; SMN2KMT2AGAAMEN1LMNA
SCHEMBL12824136 0.77 GCK (0.43) SMN1; SMN2KMT2AGAAMEN1GCK
SCHEMBL676084 0.77 SMN1; SMN2 (0.64) SMN1; SMN2KMT2AGAAMEN1LMNA
SCHEMBL2612386 0.76

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 2 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-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 (1 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 4339/4885KMT2A 609/4885GAA 677/4885

“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.