SCHEMBL5239221

SCHEMBL5239221

CCCCOc1c(CO)n(Cc2ccccc2)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SRC P12931 1/20 0.40
MAPK8 P45983 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
PLA2G2A P14555 1/20 0.39
PGR P06401 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5240609 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DTLR7
Hydrochloric Acid SCHEMBL5236974 0.88 DPP4 (0.43) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL5238558 0.86 MAPK8 (0.41) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL5237304 0.85 TSHR (0.43) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL5234623 0.84 CCR2 (0.47) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL5239540 0.84 TSHR (0.42) KDM4EALDH1A1LMNATSHRMAPK1
SCHEMBL6111469 0.83 TLR7 (0.38) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL5231965 0.83 DPP4 (0.37) ALDH1A1PGRTSHR
SCHEMBL5238883 0.82 ALDH1A1 (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5237079 0.82 SMN1; SMN2 (0.35) ALDH1A1PGRNPSR1

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US disclosed
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 PDE4A 3552/4885PDE4B 3778/4885PDE4C 4171/4885

“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.