SCHEMBL3436288

SCHEMBL3436288

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
SLC22A12 Q96S37 1/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ATM Q13315 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 0.92 ALDH1A1 (0.51) ALDH1A1TSHRHTTSMN1; SMN2USP2
SCHEMBL3436286 0.86 MAPK1 (0.52) ALDH1A1TSHRHTTSMN1; SMN2USP2
SCHEMBL3556537 0.82 ALDH1A1 (0.44) ALDH1A1TSHRHTTSMN1; SMN2MEN1
SCHEMBL3436302 0.82 TSHR (0.66) ALDH1A1TSHRHTTSMN1; SMN2USP2
SCHEMBL3436299 0.80 ALDH1A1 (0.51) ALDH1A1TSHRHTTSMN1; SMN2MEN1
SCHEMBL3436490 0.80 ALDH1A1 (0.49) ALDH1A1TSHRHTTSMN1; SMN2MEN1
SCHEMBL3436298 0.80 ALDH1A1 (0.64) ALDH1A1TSHRHTTSMN1; SMN2USP2
SCHEMBL3436304 0.78 POLB (0.48) ALDH1A1TSHRHTTSMN1; SMN2USP2
SCHEMBL3436291 0.78 ITGB3 (0.43) HTTITGB3ITGA2BUSP2ATM
SCHEMBL8744982 0.77 HTT (0.59) ALDH1A1TSHRHTTSMN1; SMN2ITGB3

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 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.