SCHEMBL5451194

SCHEMBL5451194

NC(=O)c1c(NC(=O)C2CC2)sc2cc(OCC(=O)N(CCO)CCO)ccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
FLT3 P36888 2/20 0.37
MAPT P10636 5/20 0.36
ABL1 P00519 3/20 0.36
PDK2 Q15119 1/20 0.36
TNIK Q9UKE5 2/20 0.35
MAPK10 P53779 1/20 0.35
MAPK1 P28482 2/20 0.33
DYRK1A Q13627 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5449196 0.85 ABL1 (0.50) AURKAAURKBFLT3MAPTABL1
SCHEMBL5455868 0.85 ABL1 (0.39) POLBAURKAAURKBFLT3MAPT
SCHEMBL5451020 0.84 ABL1 (0.49) POLBAURKAAURKBFLT3MAPT
SCHEMBL5453194 0.84 ALDH1A1 (0.41) POLBAURKAAURKBFLT3MAPT
SCHEMBL5456020 0.84 MAPT (0.41) AURKAAURKBFLT3MAPTABL1
SCHEMBL5460935 0.83 MAPT (0.42) POLBAURKAAURKBFLT3MAPT
SCHEMBL5453479 0.83 TNIK (0.37) AURKAAURKBFLT3MAPTABL1
SCHEMBL5454161 0.81 FLT3 (0.41) AURKAAURKBFLT3MAPTABL1
SCHEMBL5459851 0.80 FKBP1A (0.46) POLBMAPTALDH1A1HPGDTP53
SCHEMBL5453440 0.80 GAA (0.44) POLBMAPTMAPK1ALDH1A1HPGD

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 6 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
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO 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 POLB 404/4885AURKA 869/4885AURKB 585/4885

“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.