SCHEMBL5455819

SCHEMBL5455819

Cc1ccc(NC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.59
PDE4D Q08499 1/20 0.59
FLT3 P36888 8/20 0.57
CCR6 P51684 1/20 0.54
MAPT P10636 3/20 0.53
TP53 P04637 2/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
CFTR P13569 1/20 0.51
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL5446299 0.88 PDE4B (0.45) PDE4BPDE4DFLT3CCR6MAPT
SCHEMBL5448435 0.86 PDE4B (0.72) PDE4BPDE4DFLT3CCR6MAPT
SCHEMBL5466959 0.84 PDE4B (0.64) PDE4BPDE4DFLT3CCR6MAPT
SCHEMBL5456038 0.83 FLT3 (0.56) PDE4BPDE4DFLT3CCR6MAPT
SCHEMBL5462791 0.79 FLT3 (0.72) FLT3MAPTTP53ALDH1A1MEN1
SCHEMBL5458413 0.78 KMT2A (0.64) PDE4BPDE4DFLT3CCR6MAPT
SCHEMBL5445125 0.78 FLT3 (0.69) FLT3MAPTTP53ALDH1A1MEN1
SCHEMBL5453184 0.77 CCR6 (0.60) PDE4BPDE4DFLT3CCR6MAPT
SCHEMBL5453264 0.77 FLT3 (0.71) FLT3MAPTTP53ALDH1A1MEN1
SCHEMBL5460669 0.76 PDE4B (0.58) PDE4BPDE4DFLT3CCR6MAPT

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 4 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

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 PDE4B 1387/4885PDE4D 1518/4885FLT3 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.