SCHEMBL3436286

SCHEMBL3436286

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3436289 0.89 ALDH1A1 (0.51) ALDH1A1NPSR1SMN1; SMN2TSHRHTT
SCHEMBL3436053 0.88 GAA (0.48) MAPK1ALDH1A1NPSR1KDM4ETSHR
SCHEMBL3436288 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRHTTMEN1
SCHEMBL3435958 0.83 MAPT (0.44) ALDH1A1KDM4ESMN1; SMN2HTTLMNA
SCHEMBL3436304 0.80 POLB (0.48) MAPK1ALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL3556537 0.80 ALDH1A1 (0.44) ALDH1A1NPSR1KDM4ESMN1; SMN2TSHR
SCHEMBL3436302 0.79 TSHR (0.66) ALDH1A1NPSR1SMN1; SMN2TSHRHTT
SCHEMBL3436299 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TSHRHTTGAA
SCHEMBL3436298 0.77 ALDH1A1 (0.64) ALDH1A1NPSR1SMN1; SMN2TSHRHTT
SCHEMBL3436490 0.77 ALDH1A1 (0.49) ALDH1A1NPSR1SMN1; SMN2TSHRHTT

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-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

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 MAPK1 1316/4885ALDH1A1 975/4885NPSR1 276/4885

“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.