SCHEMBL5239784

SCHEMBL5239784

CCCCOc1c(CO)n(CC2CC2)c(=O)c2ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.53
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
CNR2 P34972 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
TLR8 Q9NR97 3/20 0.34
TLR7 Q9NYK1 3/20 0.34
DPP4 P27487 1/20 0.34
GAA P10253 1/20 0.33
ACHE P22303 1/20 0.33
HTR4 Q13639 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL5239965 0.90 MAPK8 (0.44) MAPK8LMNASMN1; SMN2CNR2ALDH1A1
SCHEMBL5234694 0.86 MAPK8 (0.45) MAPK8LMNASMN1; SMN2CNR2ALDH1A1
SCHEMBL5235048 0.84 MAPK8 (0.55) MAPK8LMNASMN1; SMN2CNR2ALDH1A1
SCHEMBL5232654 0.84 DPP4 (0.49) MAPK8LMNASMN1; SMN2HSD17B10DPP4
SCHEMBL5234463 0.84 MAPK8 (0.44) MAPK8LMNASMN1; SMN2DPP4ACHE
SCHEMBL6109713 0.83 MAPK8 (0.42) MAPK8LMNASMN1; SMN2CNR2ALDH1A1
SCHEMBL5238550 0.83 LMNA (0.40) MAPK8LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5238491 0.82 MAPK8 (0.42) MAPK8LMNASMN1; SMN2CNR2ALDH1A1
SCHEMBL5233316 0.82 MAPK8 (0.49) MAPK8LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5234701 0.81 MAPK8 (0.44) MAPK8LMNASMN1; SMN2CNR2ALDH1A1

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 MAPK8 2612/4885LMNA 1764/4885SMN1; SMN2 4002/4885

“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.