SCHEMBL13847342

SCHEMBL13847342

O=C(O)CCC(CC(=O)O)NCCCNC(=O)CCCOc1ccc(/C=C2\SC(=O)NC2=O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
PLA2G1B P04054 2/20 0.39
ATG4B Q9Y4P1 2/20 0.39
HTT P42858 2/20 0.39
TTR P02766 1/20 0.39
BLM P54132 1/20 0.39
HPGD P15428 10/20 0.38
PTPN1 P18031 3/20 0.38
HSP90AA1 P07900 1/20 0.38
LMNA P02545 1/20 0.37
IGF1R P08069 1/20 0.37

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
SCHEMBL4106787 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL4106780 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL4107586 0.92 HPGD (0.41) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL13847339 0.90 KMT2A (0.40) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL4107569 0.90 KMT2A (0.40) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL4107574 0.90 KMT2A (0.40) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL1247514 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL1247517 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL12892118 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL1247716 0.82 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2GAA

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-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 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-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB MEN1 912/4885KMT2A 4327/4885ALDH1A1 4836/4885

“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.