SCHEMBL4253104

SCHEMBL4253104

COc1cccc(C(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 19/20 0.80
IMPDH1 P20839 1/20 0.66
AAK1 Q2M2I8 2/20 0.62

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
SCHEMBL4258273 0.89 IMPDH2 (0.80) IMPDH2IMPDH1AAK1
SCHEMBL1474411 0.89 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL1475387 0.88 IMPDH2 (0.82) IMPDH2IMPDH1AAK1
SCHEMBL6484800 0.87 IMPDH2 (0.64) IMPDH2IMPDH1AAK1
SCHEMBL6486385 0.86 IMPDH2 (0.66) IMPDH2IMPDH1AAK1
SCHEMBL7543846 0.85 IMPDH2 (0.88) IMPDH2IMPDH1AAK1
SCHEMBL4250135 0.85 IMPDH2 (0.73) IMPDH2IMPDH1
SCHEMBL1475788 0.84 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL15741699 0.84 IMPDH2 (0.81) IMPDH2IMPDH1AAK1
SCHEMBL15741601 0.83 IMPDH2 (0.64) IMPDH2IMPDH1AAK1

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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 IMPDH2 2643/4885IMPDH1 2186/4885AAK1 3931/4885

“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.