SCHEMBL5451657

SCHEMBL5451657

CC(NC(=O)COc1ccc2c(C(N)=O)c(NC(=O)C3CC3)sc2c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PARP1 P09874 1/20 0.45
ALDH1A1 P00352 4/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
RECQL P46063 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39

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
SCHEMBL5460935 0.85 MAPT (0.42) MEN1KMT2AAURKAAURKBPOLB
SCHEMBL5456020 0.82 MAPT (0.41) MEN1KMT2AALDH1A1AURKAAURKB
SCHEMBL5451020 0.81 ABL1 (0.49) MEN1KMT2AALDH1A1AURKAAURKB
SCHEMBL5453194 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1AURKAAURKB
SCHEMBL5453479 0.79 TNIK (0.37) MEN1KMT2AALDH1A1AURKAAURKB
SCHEMBL5455868 0.78 ABL1 (0.39) MEN1KMT2AALDH1A1AURKAAURKB
SCHEMBL5449196 0.78 ABL1 (0.50) AURKAAURKBMAPT
SCHEMBL5450710 0.77 MAPK10 (0.52) ALDH1A1AURKAAURKBLMNAMAPT
SCHEMBL5454161 0.77 FLT3 (0.41) AURKAAURKBMAPTMAPK1HTT
SCHEMBL5453440 0.77 GAA (0.44) MEN1KMT2AALDH1A1POLBMAPT

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 MEN1 2891/4885KMT2A 4785/4885PARP1 2145/4885

“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.