SCHEMBL4250135

SCHEMBL4250135

COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1-c1cnco1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 17/20 0.73
SETD7 Q8WTS6 1/20 0.67
IMPDH1 P20839 1/20 0.61
MAPT P10636 2/20 0.60
MEN1 O00255 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL7208989 0.89 IMPDH2 (0.73) IMPDH2IMPDH1MAPTMEN1HTT
SCHEMBL7729166 0.86 IMPDH2 (0.57) IMPDH2SETD7IMPDH1
SCHEMBL4258273 0.85 IMPDH2 (0.80) IMPDH2IMPDH1
SCHEMBL4253104 0.85 IMPDH2 (0.80) IMPDH2IMPDH1
SCHEMBL1474411 0.85 IMPDH2 (1.00) IMPDH2IMPDH1
SCHEMBL7543846 0.81 IMPDH2 (0.88) IMPDH2IMPDH1
SCHEMBL30292051 0.80 IMPDH2 (0.60) IMPDH2IMPDH1MAPTMEN1HTT
SCHEMBL3863160 0.80 IMPDH2 (0.60) IMPDH2IMPDH1MAPTMEN1HTT
SCHEMBL1475788 0.80 IMPDH2 (1.00) IMPDH2IMPDH1
SCHEMBL5010235 0.78 IMPDH2 (0.63) IMPDH2IMPDH1

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-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 2643/4885SETD7 1077/4885IMPDH1 2186/4885

“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.