SCHEMBL5451122

SCHEMBL5451122

NC(=O)c1c(NC(=O)Nc2ccccc2[N+](=O)[O-])sc2c1CCOC2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.54
PDE4D Q08499 10/20 0.54
CFTR P13569 1/20 0.53
ANO1 Q5XXA6 3/20 0.47
RAB7A P51149 1/20 0.45
CCR6 P51684 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
EPHB4 P54760 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPRB P23467 1/20 0.43
PTPRE P23469 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5458406 0.91 CFTR (0.55) PDE4BPDE4DCFTRANO1CCR6
SCHEMBL5448435 0.86 PDE4B (0.72) PDE4BPDE4DCFTRCCR6MEN1
SCHEMBL5448477 0.85 CFTR (0.58) CFTRANO1RAB7AMEN1NPC1
SCHEMBL5460654 0.84 ANO1 (0.64) CFTRANO1RAB7AMEN1NPC1
SCHEMBL5457966 0.84 ANO1 (0.66) CFTRANO1RAB7AMEN1NPC1
SCHEMBL5451626 0.83 PDE4B (0.55) PDE4BPDE4DCCR6MEN1NPC1
SCHEMBL5457807 0.82 CFTR (0.55) CFTRANO1CCR6MEN1NPC1
SCHEMBL5460609 0.82 CFTR (0.58) CFTRANO1RAB7AMEN1NPC1
SCHEMBL5460026 0.82 CFTR (0.58) CFTRANO1RAB7AMEN1NPC1
SCHEMBL5462638 0.82 CNR2 (0.55) CFTRANO1RAB7AMEN1NPC1

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 1518/4885CFTR 2030/4885

“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.