SCHEMBL5453184

SCHEMBL5453184

NC(=O)c1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4D Q08499 1/20 0.60
NPC1 O15118 3/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
GAA P10253 2/20 0.57
LMNA P02545 1/20 0.56
FLT3 P36888 7/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 2/20 0.54
KCNH2 Q12809 2/20 0.53
TLR2 O60603 1/20 0.53
SMN1; SMN2 Q16637 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
SCHEMBL5460669 0.87 PDE4B (0.58) CCR6PDE4BPDE4DNPC1MEN1
SCHEMBL5453162 0.86 KCNH2 (0.48) CCR6PDE4BPDE4DNPC1MEN1
SCHEMBL5457807 0.85 CFTR (0.55) CCR6NPC1MEN1KMT2ARAB9A
SCHEMBL4234573 0.85 FLT3 (0.72) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL5456038 0.84 FLT3 (0.56) CCR6PDE4BPDE4DNPC1MEN1
SCHEMBL5455065 0.84 MEN1 (0.79) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL5467902 0.84 FLT3 (0.72) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL5462791 0.84 FLT3 (0.72) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL5450860 0.83 MEN1 (0.78) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL3914715 0.83 FLT3 (0.74) CCR6PDE4BPDE4DNPC1MEN1

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 CCR6 2431/4885PDE4B 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.