SCHEMBL91573

SCHEMBL91573

C=CSC(=C)C(=O)Nc1nc(CC)cs1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
PDE5A O76074 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.37
AOC3 Q16853 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL91383 0.80 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AGAAMEN1PDE5A
SCHEMBL77539 0.79 ATAD2 (0.50) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL10084294 0.75 KMT2A (0.47) SMN1; SMN2KMT2AGAAMEN1PDE5A
SCHEMBL2612387 0.74 SMN1; SMN2 (0.73) SMN1; SMN2KMT2ALMNAALDH1A1AOC3
SCHEMBL10084520 0.73 LMNA (0.49) SMN1; SMN2KMT2AGAAMEN1PDE5A
SCHEMBL10085276 0.72 MAPK1 (0.50) SMN1; SMN2KMT2AGAAMEN1LMNA
SCHEMBL10084283 0.70 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AGAAMEN1PDE5A
SCHEMBL10084859 0.70 AOC3 (0.55) SMN1; SMN2KMT2AGAAMEN1PDE5A
SCHEMBL14350428 0.70 KMT2A (0.58) SMN1; SMN2KMT2AGAAMEN1PDE5A
SCHEMBL91499 0.70 GAA (0.68) SMN1; SMN2KMT2AGAAMEN1PDE5A

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.