SCHEMBL5451626

SCHEMBL5451626

NC(=O)c1c(NC(=O)Nc2ccccc2[N+](=O)[O-])sc2c1CCSC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.55
PDE4D Q08499 11/20 0.55
CCR6 P51684 1/20 0.43
PTPN1 P18031 1/20 0.42
PTPRA P18433 1/20 0.42
TNIK Q9UKE5 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
FLT3 P36888 1/20 0.42
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42
KMT2A Q03164 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL5460149 0.91 PDE4B (0.49) PDE4BPDE4DNPC1RAB9AMEN1
SCHEMBL5448435 0.87 PDE4B (0.72) PDE4BPDE4DCCR6NPC1RAB9A
SCHEMBL5446299 0.87 PDE4B (0.45) PDE4BPDE4DCCR6FLT3MEN1
SCHEMBL5467285 0.83 FLT3 (0.53) PTPN1PTPRATNIKNPC1RAB9A
SCHEMBL5451122 0.83 PDE4B (0.54) PDE4BPDE4DCCR6PTPN1NPC1
SCHEMBL5453162 0.82 KCNH2 (0.48) PDE4BPDE4DCCR6TNIKNPC1
SCHEMBL5444976 0.81 MEN1 (0.51) PDE4BPDE4DMEN1KMT2A
SCHEMBL5450630 0.81 MAPT (0.46) PDE4BPDE4DCCR6NPC1RAB9A
SCHEMBL5449213 0.80 LMNA (0.48) PTPN1PTPRATNIKNPC1RAB9A
SCHEMBL5452205 0.79 MEN1 (0.52) PDE4BNPC1RAB9AFLT3MEN1

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 PDE4B 1387/4885PDE4D 1518/4885CCR6 2431/4885

“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.