SCHEMBL1076607

SCHEMBL1076607

COCc1ccc(Oc2cc(OC)c3[nH]c(C(N)=S)cc3c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
RAD52 P43351 1/20 0.34
GCK P35557 2/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
DHFR P00374 1/20 0.32
MAPT P10636 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
FLT3 P36888 1/20 0.31
MAPKAPK2 P49137 1/20 0.31

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
SCHEMBL12734195 0.92 ALDH1A1 (0.34) IDO1ALDH1A1HPGDRAD52DRD2
SCHEMBL1076403 0.90 IDO1 (0.39) IDO1ALDH1A1HPGDGCKUSP2
SCHEMBL1076900 0.86 HPGD (0.44) IDO1ALDH1A1HPGDGCKUSP2
SCHEMBL12734139 0.86 TGFBR1 (0.38) IDO1ALDH1A1HPGDRAD52LMNA
SCHEMBL564288 0.86 PDE4D (0.34) GCKPIK3CAMAPT
SCHEMBL12807212 0.83 AXL (0.38) ALDH1A1HPGDGCKPIK3CDPIK3CA
SCHEMBL1677370 0.83 RAB9A (0.48) IDO1ALDH1A1HPGDLMNAHTT
SCHEMBL1075818 0.82 GCK (0.33) IDO1ALDH1A1HPGDRAD52GCK
SCHEMBL1076491 0.81 ACACA (0.34) IDO1ALDH1A1HPGDGCKUSP2
SCHEMBL12734193 0.81 IDO1 (0.37) IDO1ALDH1A1HPGDLMNAHTT

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-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 US disclosed
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 US disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
EP-2276760-A1 FUSED RING COMPOUNDS AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP disclosed
WO-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 IDO1 3049/4885ALDH1A1 305/4885HPGD 1024/4885

“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.