SCHEMBL5451669

SCHEMBL5451669

NC(=O)c1c(NC(=O)C2CC2)sc2cc(OCCN3CCCCC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.51
ESR2 Q92731 14/20 0.51
CHEK1 O14757 1/20 0.49
ENPP3 O14638 2/20 0.49
STS P08842 2/20 0.49
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
PLD2 O14939 1/20 0.48
KDM1A O60341 1/20 0.48
NR1I2 O75469 1/20 0.48
USP2 O75604 1/20 0.48
C5 P01031 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
SCHEMBL5449196 0.85 ABL1 (0.50) CHEK1MAPT
SCHEMBL5454161 0.84 FLT3 (0.41) CHEK1TP53MAPTTSHRHTT
SCHEMBL5451020 0.82 ABL1 (0.49) MEN1ALDH1A1LMNATP53MAPT
SCHEMBL5448425 0.80 CHEK1 (0.40) ESR1ESR2CHEK1TSHRHTR2A
SCHEMBL5453440 0.80 GAA (0.44) MEN1ALDH1A1TP53MAPTKMT2A
SCHEMBL5456020 0.80 MAPT (0.41) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL5460935 0.79 MAPT (0.42) MEN1MAPTKMT2ATDP1TSHR
SCHEMBL5450710 0.79 MAPK10 (0.52) ALDH1A1LMNAMAPTTSHRHTT
SCHEMBL5452407 0.79 MEN1 (0.43) MEN1ALDH1A1TP53MAPTKMT2A
SCHEMBL5459851 0.78 FKBP1A (0.46) MEN1ALDH1A1LMNATP53MAPT

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 ESR1 3803/4885ESR2 2526/4885CHEK1 1585/4885

“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.