SCHEMBL5452407

SCHEMBL5452407

NC(=O)c1c(NC(=O)C2CC2)sc2cc(OCCOC3CCCCO3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
FLT3 P36888 1/20 0.39
MAPT P10636 4/20 0.36
KDM4C Q9H3R0 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
DYRK1A Q13627 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ABL1 P00519 1/20 0.34
TSHR P16473 1/20 0.34
MAPK10 P53779 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MDM2 Q00987 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34

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 0.82 ABL1 (0.50) FLT3MAPTDYRK1AABL1MAPK10
SCHEMBL5454161 0.81 FLT3 (0.41) FLT3MAPTDYRK1AABL1TSHR
SCHEMBL5451020 0.79 ABL1 (0.49) MEN1KMT2AFLT3MAPTRAB9A
SCHEMBL5451669 0.79 ESR1 (0.51) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL5456020 0.77 MAPT (0.41) MEN1KMT2AFLT3MAPTRAB9A
SCHEMBL5460935 0.76 MAPT (0.42) MEN1KMT2AFLT3MAPTDYRK1A
SCHEMBL5459851 0.76 FKBP1A (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL5459817 0.74 MAPT (0.46) MEN1KMT2AFLT3MAPTRAB9A
SCHEMBL5453194 0.74 ALDH1A1 (0.41) MEN1KMT2AFLT3MAPTRAB9A
SCHEMBL5451194 0.73 POLB (0.40) FLT3MAPTDYRK1AALDH1A1HPGD

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 9 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
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
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
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 4785/4885ICAM1 662/4885

“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.