SCHEMBL4054527

SCHEMBL4054527

CCCCCCCCCCn1c(-c2cccc(OC)c2)nc2ncc(-c3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 3/20 0.46
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
KDM4E B2RXH2 3/20 0.43
PDE4B Q07343 3/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC2A1 P11166 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
ICMT O60725 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
GCGR P47871 1/20 0.40

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
SCHEMBL4061731 0.90 TP53 (0.45) TP53SMN1; SMN2GAAMAPTTLR7
SCHEMBL4052208 0.87 GRIK2 (0.48) SMN1; SMN2GAAMAPTTLR7KDM4E
SCHEMBL4056005 0.86 HPGD (0.52) TP53SMN1; SMN2GAAMAPTKDM4E
SCHEMBL4053869 0.86 GRIN1 (0.42) SMN1; SMN2MAPTTLR7KDM4EALDH1A1
SCHEMBL4054927 0.86 KDM4E (0.51) TP53SMN1; SMN2GAAMAPTTLR7
SCHEMBL4061314 0.85 NR1H2 (0.46) TP53SMN1; SMN2GAAMAPTTLR7
SCHEMBL4055524 0.85 KDM4E (0.42) SMN1; SMN2GAAMAPTKDM4EALDH1A1
SCHEMBL4058263 0.84 MAPT (0.51) SMN1; SMN2GAAMAPTKDM4EALDH1A1
SCHEMBL4051260 0.82 HTT (0.52) TP53SMN1; SMN2GAAMAPTTLR7
SCHEMBL4051483 0.82 KDM4E (0.45) SMN1; SMN2MAPTTLR7KDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B TP53 842/4885SMN1; SMN2 4289/4885GAA 3196/4885

“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.