SCHEMBL5453629

SCHEMBL5453629

CC1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.65
PDE4D Q08499 2/20 0.61
MAPT P10636 10/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HPGD P15428 4/20 0.57
ALDH1A1 P00352 4/20 0.57
DUSP3 P51452 1/20 0.56
PTPN5 P54829 1/20 0.56
PTPN11 Q06124 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
FLT3 P36888 1/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL5449182 0.89 PDE4B (0.64) PDE4BPDE4DMAPTMEN1KMT2A
SCHEMBL13159105 0.86 RXFP1 (0.64) PDE4BPDE4DMAPTMEN1KMT2A
SCHEMBL3914715 0.85 FLT3 (0.74) PDE4BPDE4DMAPTMEN1KMT2A
SCHEMBL8290414 0.81 MEN1 (0.75) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL8289434 0.78 RXFP1 (0.75) PDE4BMAPTMEN1KMT2AHPGD
SCHEMBL3914076 0.77 MAPT (0.73) PDE4BPDE4DMAPTMEN1KMT2A
SCHEMBL8289709 0.76 MAPT (0.69) PDE4BPDE4DMAPTMEN1KMT2A
SCHEMBL3914480 0.76 MAPT (1.00) PDE4BPDE4DMAPTMEN1KMT2A
SCHEMBL8289822 0.75 MAPT (0.68) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL18177310 0.75 MAPT (0.61) MAPTMEN1KMT2AHPGDALDH1A1

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 1518/4885MAPT 21/4885

“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.