SCHEMBL10084294

SCHEMBL10084294

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PDE5A O76074 1/20 0.46
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 4/20 0.42
ESR2 Q92731 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL91499 0.80 GAA (0.68) KMT2AGAAMEN1SMN1; SMN2PDE5A
SCHEMBL14350428 0.80 KMT2A (0.58) KMT2AGAAMEN1SMN1; SMN2PDE5A
SCHEMBL10084520 0.80 LMNA (0.49) KMT2AGAAMEN1SMN1; SMN2PDE5A
SCHEMBL10085276 0.79 MAPK1 (0.50) KMT2AGAAMEN1SMN1; SMN2POLB
SCHEMBL10078875 0.78 ALDH1A1 (0.59) KMT2AMEN1SMN1; SMN2POLBHTT
SCHEMBL2612387 0.78 SMN1; SMN2 (0.73) KMT2ASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL10081502 0.78 ALDH1A1 (0.54) KMT2AGAAMEN1SMN1; SMN2PDE5A
Glyoxylate SCHEMBL8511933 0.77 KMT2A (0.48) KMT2AGAAMEN1SMN1; SMN2PDE5A
Acetic Acid SCHEMBL8356398 0.77 KMT2A (0.50) KMT2AGAAMEN1SMN1; SMN2PDE5A
SCHEMBL91408 0.77 PDE5A (0.74) KMT2AGAAMEN1SMN1; SMN2PDE5A

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-8119645-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

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-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 KMT2A 663/4885GAA 679/4885MEN1 938/4885

“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.