SCHEMBL6072844

SCHEMBL6072844

CCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(=O)O)c(NCc3ccc(-c4ccccc4)cc3)c1)=NC(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.41
KDM4C Q9H3R0 2/20 0.37
KDM5B Q9UGL1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
GSK3B P49841 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
POLB P06746 1/20 0.34
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL6072191 0.97 ACLY (0.38) ACLYKDM4CKDM5BALDH1A1THRB
SCHEMBL6071796 0.94 ALDH1A1 (0.35) ACLYKDM4CKDM5BALDH1A1THRB
SCHEMBL6072164 0.93 ACLY (0.38) ACLYALDH1A1THRBPOLBMEN1
SCHEMBL6072061 0.93 KDM4E (0.40) ACLYALDH1A1POLBMEN1GAA
SCHEMBL6072162 0.92 MKNK2 (0.42) ALDH1A1THRBL3MBTL1CDC7ROCK2
SCHEMBL6071950 0.91 RXRA (0.32) ACLYALDH1A1GAAPLK1KDM4E
SCHEMBL6071853 0.91 NPSR1 (0.38) ALDH1A1L3MBTL1CDC7ROCK2MAP4K4
SCHEMBL6071890 0.91 POLB (0.36) ACLYALDH1A1L3MBTL1CDC7ROCK2
SCHEMBL6072299 0.90 PKM (0.36) ACLYALDH1A1POLBMEN1KMT2A
SCHEMBL6072284 0.90 IDO1 (0.33) ACLYALDH1A1MKNK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 US disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A ACLY 1588/4885KDM4C 140/4885KDM5B 222/4885

“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.