SCHEMBL5458406

SCHEMBL5458406

Cc1c(NC(=O)Nc2sc3c(c2C(N)=O)CCOC3)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.55
PDE4B Q07343 9/20 0.48
PDE4D Q08499 9/20 0.48
LMNA P02545 3/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ANO1 Q5XXA6 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALOX12 P18054 1/20 0.43
CCR6 P51684 1/20 0.42
EPHB4 P54760 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 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
SCHEMBL5451122 0.91 PDE4B (0.54) CFTRPDE4BPDE4DKMT2AMEN1
SCHEMBL5466959 0.87 PDE4B (0.64) CFTRPDE4BPDE4DLMNAKMT2A
SCHEMBL5456340 0.87 CFTR (0.60) CFTRKMT2AMEN1ANO1NPC1
SCHEMBL5467763 0.85 CFTR (0.58) CFTRKMT2AMEN1MAPTGAA
SCHEMBL5460149 0.84 PDE4B (0.49) PDE4BPDE4DLMNAKMT2AMEN1
SCHEMBL5457966 0.83 ANO1 (0.66) CFTRKMT2AMEN1MAPTANO1
SCHEMBL5451169 0.82 CFTR (0.55) CFTRPDE4BPDE4DLMNAKMT2A
SCHEMBL5457889 0.82 CFTR (0.55) CFTRPDE4BPDE4DLMNAKMT2A
SCHEMBL5449480 0.81 CFTR (0.58) CFTRKMT2AMEN1ANO1NPC1
SCHEMBL5452660 0.80 PDE4B (0.53) CFTRPDE4BPDE4DLMNAKMT2A

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
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 CFTR 2030/4885PDE4B 1387/4885PDE4D 1518/4885

“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.