SCHEMBL91383

SCHEMBL91383

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 3/20 0.53
AOC3 Q16853 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
PDE5A O76074 1/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 1/20 0.42
NLRP1 Q9C000 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL2612387 0.83 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AAOC3NPC1RAB9A
SCHEMBL91573 0.80 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AAOC3NPC1RAB9A
SCHEMBL91499 0.76 GAA (0.68) SMN1; SMN2KMT2ANPC1RAB9AGAA
SCHEMBL10084283 0.76 SMN1; SMN2 (0.68) SMN1; SMN2KMT2ANPC1RAB9AGAA
SCHEMBL14350428 0.76 KMT2A (0.58) SMN1; SMN2KMT2AGAAMEN1PDE5A
SCHEMBL10084859 0.76 AOC3 (0.55) SMN1; SMN2KMT2AAOC3GAAMEN1
Acetic Acid SCHEMBL8356398 0.76 KMT2A (0.50) SMN1; SMN2KMT2AAOC3NPC1RAB9A
SCHEMBL10084294 0.76 KMT2A (0.47) SMN1; SMN2KMT2ARAB9AGAAMEN1
SCHEMBL77031 0.75 ATAD2 (0.57) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL10084856 0.75 KMT2A (0.49) SMN1; SMN2KMT2AAOC3NPC1RAB9A

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 609/4885AOC3 707/4885

“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.