SCHEMBL3436844

SCHEMBL3436844

COc1cc(C)c(N2CCN(CC(N)=O)CC2)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.39
AOC3 Q16853 2/20 0.38
MAPT P10636 1/20 0.38
DRD4 P21917 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CLK1 P49759 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL3436531 0.83 AOC3 (0.39) LMNAAOC3DRD4GAAALDH1A1
SCHEMBL3436843 0.83 MEN1 (0.45) LMNAKMT2AMEN1TSHRMAPT
SCHEMBL3436602 0.78 DRD4 (0.47) KMT2AMEN1AOC3MAPTDRD4
SCHEMBL3564756 0.75 HTR3E (0.51) KMT2AGAAKDM4EALDH1A1
SCHEMBL4412154 0.74 LMNA (0.56) LMNAKMT2AMEN1TSHRMAPT
SCHEMBL3436540 0.74 HTR3E (0.55) LMNAKMT2AMEN1TSHRMAPT
SCHEMBL3436523 0.74 ALDH1A1 (0.41) AOC3GAAKDM4EALDH1A1
SCHEMBL3436006 0.73 ALDH1A1 (0.40) LMNAKMT2AMEN1TSHRGAA
SCHEMBL13999778 0.72 GAA (0.39) KMT2AMEN1AOC3MAPTDRD4
SCHEMBL3436304 0.72 POLB (0.48) LMNAKMT2AMEN1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 LMNA 4712/4885KMT2A 1707/4885MEN1 4778/4885

“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.