SCHEMBL5449658

SCHEMBL5449658

NC(=O)c1c(NC(=O)CN2CCCCCC2)sc2c1CCOC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
TSHR P16473 4/20 0.71
HPGD P15428 3/20 0.71
GAA P10253 1/20 0.71
HSD17B10 Q99714 3/20 0.69
ALOX15 P16050 2/20 0.69
KDM4E B2RXH2 1/20 0.69
CFTR P13569 1/20 0.53
CNR2 P34972 6/20 0.53
CNR1 P21554 1/20 0.53
CDK2 P24941 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RORC P51449 1/20 0.48

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
SCHEMBL5449732 0.99 ALDH1A1 (0.73) ALDH1A1TSHRHPGDGAAHSD17B10
SCHEMBL5477448 0.89 ALDH1A1 (0.64) ALDH1A1TSHRHPGDGAAHSD17B10
SCHEMBL3988276 0.85 ALDH1A1 (0.97) ALDH1A1TSHRHPGDGAAHSD17B10
SCHEMBL5858139 0.83 ALDH1A1 (0.50) ALDH1A1TSHRHPGDGAAHSD17B10
SCHEMBL5858104 0.83 RORC (0.51) ALDH1A1TSHRHPGDGAAHSD17B10
SCHEMBL5859194 0.83 ALDH1A1 (0.50) ALDH1A1TSHRHPGDGAAHSD17B10
SCHEMBL5859249 0.82 KIF11 (0.55) ALDH1A1TSHRHPGDGAAHSD17B10
SCHEMBL5452093 0.82 ALDH1A1 (0.95) ALDH1A1TSHRHPGDGAAHSD17B10
SCHEMBL8289801 0.82 ALDH1A1 (1.00) ALDH1A1TSHRHPGDGAAHSD17B10
SCHEMBL5460139 0.81 CFTR (0.60) ALDH1A1TSHRHPGDGAAHSD17B10

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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 ALDH1A1 1153/4885TSHR 1038/4885HPGD 2361/4885

“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.