SCHEMBL3065446

SCHEMBL3065446

COc1ccc(CN2CCN(C(=O)c3cc4cc(Oc5ccc(C(N)=O)cn5)ccc4n3C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 11/20 0.54
ABCB1 P08183 1/20 0.53
OPRM1 P35372 4/20 0.51
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
PIK3CA P42336 2/20 0.50
PRKAA2 P54646 2/20 0.50
PTGS2 P35354 1/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49

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
Maleic Acid SCHEMBL3064256 0.95 STAT3 (0.51) STAT3ABCB1OPRM1OPRD1OPRK1
SCHEMBL3057622 0.90 STAT3 (0.53) STAT3PIK3CAPRKAA2PTGS2DRD2
SCHEMBL3065449 0.90 STAT3 (0.53) STAT3PIK3CAPRKAA2PTGS2DRD2
Bromide SCHEMBL3063277 0.89 STAT3 (0.53) STAT3PIK3CAPRKAA2PTGS2DRD2
Bromide SCHEMBL3067852 0.89 STAT3 (0.53) STAT3PIK3CAPRKAA2PTGS2DRD2
SCHEMBL3064421 0.87 STAT3 (0.52) STAT3PIK3CAPRKAA2PTGS2DRD2
SCHEMBL3060710 0.86 STAT3 (0.51) STAT3PIK3CAPRKAA2PTGS2DRD2
SCHEMBL10182182 0.84 PTGS2 (0.51) STAT3PIK3CAPRKAA2PTGS2DRD2
Bromide SCHEMBL3051765 0.83 STAT3 (0.49) STAT3PIK3CAPRKAA2PTGS2
SCHEMBL10180601 0.83 STAT3 (0.62) STAT3PIK3CAPRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 STAT3 1499/4885ABCB1 900/4885OPRM1 486/4885

“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.