SCHEMBL4259747

SCHEMBL4259747

CCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3ccccn3)c3ccccc3n2)cc1OCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ATM Q13315 1/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.43
ADORA2A P29274 2/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 3/20 0.42
ADORA1 P30542 2/20 0.42
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
S1PR1 P21453 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
SCHEMBL4257646 0.90 KMT2A (0.51) MEN1KMT2AATMPOLBSMN1; SMN2
SCHEMBL4263874 0.88 MEN1 (0.48) MEN1KMT2AATMPOLBSMN1; SMN2
SCHEMBL4272061 0.86 KMT2A (0.50) MEN1KMT2AATMPOLBSMN1; SMN2
SCHEMBL13952581 0.86 GAA (0.53) MEN1KMT2AATMPOLBSMN1; SMN2
SCHEMBL4259826 0.83 KMT2A (0.45) MEN1KMT2APOLBSMN1; SMN2HTT
SCHEMBL4264864 0.83 ACACA (0.52) MEN1KMT2AATMPOLBSMN1; SMN2
SCHEMBL4263263 0.83 GAA (0.47) MEN1KMT2AATMPOLBSMN1; SMN2
SCHEMBL4271084 0.82 GAA (0.46) MEN1KMT2AATMPOLBSMN1; SMN2
SCHEMBL13952370 0.82 GAA (0.46) MEN1KMT2AATMPOLBSMN1; SMN2
SCHEMBL4264941 0.81 KMT2A (0.47) MEN1KMT2APOLBSMN1; SMN2HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 MEN1 4668/4885KMT2A 410/4885ATM 4409/4885

“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.