SCHEMBL3556537

SCHEMBL3556537

Cc1ccc(CC#N)cc1N1CCN(CC(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
DRD4 P21917 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL3435127 0.86 HSP90AA1 (0.39) ALDH1A1HTTDRD4HSP90AA1HSP90AB1
SCHEMBL3436289 0.85 ALDH1A1 (0.51) ALDH1A1TSHRHTTSMN1; SMN2DRD4
SCHEMBL3436288 0.82 ALDH1A1 (0.46) ALDH1A1TSHRHTTSMN1; SMN2DRD4
SCHEMBL13999572 0.82 FFAR4 (0.52) ALDH1A1TSHRHTTDRD4MEN1
SCHEMBL3435064 0.81 MAPT (0.46) ALDH1A1HTTDRD2HSP90AA1HSP90AB1
SCHEMBL3436302 0.80 TSHR (0.66) ALDH1A1TSHRHTTSMN1; SMN2DRD4
SCHEMBL3436286 0.80 MAPK1 (0.52) ALDH1A1TSHRHTTSMN1; SMN2DRD4
SCHEMBL3436298 0.78 ALDH1A1 (0.64) ALDH1A1TSHRHTTSMN1; SMN2MEN1
SCHEMBL3436299 0.78 ALDH1A1 (0.51) ALDH1A1TSHRHTTSMN1; SMN2DRD4
SCHEMBL3436490 0.78 ALDH1A1 (0.49) ALDH1A1TSHRHTTSMN1; SMN2DRD4

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 ALDH1A1 975/4885TSHR 867/4885HTT 4067/4885

“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.