SCHEMBL6697544

SCHEMBL6697544

COc1cccc(-c2nc(-c3ccoc3)n[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.67
NR1H3 Q13133 2/20 0.67
ADORA2A P29274 10/20 0.62
ADORA1 P30542 7/20 0.62
DCUN1D1 Q96GG9 1/20 0.56
GRK6 P43250 1/20 0.50
ACHE P22303 1/20 0.46
NOTUM Q6P988 1/20 0.44
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL17279794 0.85 NR1H2 (0.86) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL29035880 0.84 NR1H2 (0.89) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL30149870 0.84 NR1H2 (0.89) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL12302837 0.77 ACHE (0.54) ACHENOTUMDYRK1ACLK4NPC1
SCHEMBL27852106 0.77 NR1H2 (0.71) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL17279684 0.76 NR1H2 (0.67) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL15117074 0.76 NR1H2 (0.80) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL17279722 0.76 NR1H2 (0.68) NR1H2NR1H3ADORA2ANPC1TP53
SCHEMBL12172015 0.76 NR1H2 (0.74) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL6451523 0.75 NR1H2 (0.65) NR1H2NR1H3ADORA2AADORA1DCUN1D1

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-20040248950-A1 Apo ai expression accelerating agent SHIONOGI & CO., LTD. (JP) 2004-12-09 US disclosed
EP-1419770-A1 APO AI EXPRESSION ACCELERATING AGENT SHIONOGI & CO., LTD. (JP) 2004-05-19 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-20040248950-A1 Apo ai expression accelerating agent APOB, APOL1, NR1H2 NR1H2 3/4885NR1H3 4/4885ADORA2A 357/4885

“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.