SCHEMBL5239965

SCHEMBL5239965

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.44
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP4 P27487 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TLR7 Q9NYK1 3/20 0.33
TLR8 Q9NR97 2/20 0.33
CNR2 P34972 2/20 0.33
CACNA2D1 P54289 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5239784 0.90 MAPK8 (0.53) MAPK8LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL5238276 0.85 TLR7 (0.35) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5234694 0.84 MAPK8 (0.45) MAPK8LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL5237433 0.84 DPP4 (0.49) LMNASMN1; SMN2HSD17B10DPP4MAPT
SCHEMBL5234463 0.84 MAPK8 (0.44) MAPK8LMNASMN1; SMN2DPP4ADORA3
SCHEMBL5238898 0.83 LMNA (0.38) MAPK8LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL5236304 0.82 CYP2D6 (0.41) LMNASMN1; SMN2KDM4ECNR2
SCHEMBL5235048 0.82 MAPK8 (0.55) MAPK8LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL6109713 0.81 MAPK8 (0.42) MAPK8LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL5233316 0.80 MAPK8 (0.49) MAPK8LMNASMN1; SMN2KDM4EALDH1A1

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.