SCHEMBL5453479

SCHEMBL5453479

NC(=O)c1c(NC(=O)C2CC2)sc2cc(OCC(=O)NCCCO)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.37
MAPT P10636 2/20 0.37
FLT3 P36888 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ABL1 P00519 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
MEN1 O00255 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL5453194 0.94 ALDH1A1 (0.41) TNIKMAPTFLT3ALDH1A1ABL1
SCHEMBL5460935 0.86 MAPT (0.42) TNIKMAPTFLT3ABL1AURKA
SCHEMBL5449196 0.85 ABL1 (0.50) TNIKMAPTFLT3ABL1AURKA
SCHEMBL5456020 0.83 MAPT (0.41) MAPTFLT3ALDH1A1ABL1AURKA
SCHEMBL5451194 0.83 POLB (0.40) TNIKMAPTFLT3ALDH1A1ABL1
SCHEMBL5454161 0.82 FLT3 (0.41) TNIKMAPTFLT3ABL1AURKA
SCHEMBL5451020 0.81 ABL1 (0.49) MAPTFLT3ALDH1A1ABL1AURKA
SCHEMBL5459851 0.79 FKBP1A (0.46) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL5453440 0.79 GAA (0.44) MAPTALDH1A1HTR1AHTR1DHTR1B
SCHEMBL5451657 0.79 MEN1 (0.49) MAPTALDH1A1AURKAAURKBMEN1

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 TNIK 4134/4885MAPT 21/4885FLT3 3509/4885

“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.