SCHEMBL3436053

SCHEMBL3436053

COC(=O)Cc1ccc(N)c(N2CCN(CC(N)=O)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
ALDH1A1 P00352 4/20 0.48
GFER P55789 2/20 0.48
MAPK1 P28482 1/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD4 P21917 1/20 0.38
CHEK1 O14757 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL3436286 0.88 MAPK1 (0.52) GAAALDH1A1GFERMAPK1MAPT
SCHEMBL3435958 0.83 MAPT (0.44) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL3434270 0.80 GAA (0.46) GAAALDH1A1MAPK1MAPTTSHR
SCHEMBL3435654 0.78 ALDH1A1 (0.50) GAAALDH1A1MAPK1HSP90AA1HSP90AB1
SCHEMBL3435127 0.78 HSP90AA1 (0.39) GAAALDH1A1MAPK1HSP90AA1HSP90AB1
SCHEMBL3436289 0.76 ALDH1A1 (0.51) ALDH1A1HSP90AA1HSP90AB1MAPTTSHR
SCHEMBL3435658 0.76 GAA (0.48) GAAALDH1A1HSP90AA1HSP90AB1MAPT
SCHEMBL3435707 0.76 NR1H4 (0.52) ALDH1A1GFERHSP90AA1HSP90AB1MAPT
SCHEMBL3435716 0.76 ALDH1A1 (0.50) GAAALDH1A1MAPK1HSP90AA1HSP90AB1
SCHEMBL3436288 0.74 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ADRD4

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 GAA 3904/4885ALDH1A1 975/4885GFER 1280/4885

“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.