SCHEMBL4249349

SCHEMBL4249349

CC(=O)Nc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.72
MAPT P10636 10/20 0.72
LMNA P02545 4/20 0.72
HTT P42858 4/20 0.72
GAA P10253 1/20 0.72
PKM P14618 1/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
KMT2A Q03164 4/20 0.68
MEN1 O00255 2/20 0.68
MAPK1 P28482 3/20 0.67
RAB9A P51151 3/20 0.67
NPC1 O15118 2/20 0.62
POLB P06746 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL4253852 0.88 MAPT (0.72) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4250981 0.88 MAPT (0.74) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4248051 0.87 TAAR1 (0.78) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4251103 0.87 MAPT (0.71) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4252926 0.86 MAPT (0.82) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4247726 0.85 MAPT (0.68) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4252130 0.85 MAPT (0.79) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4258370 0.84 MAPT (0.71) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4250821 0.84 MAPT (0.71) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4248601 0.83 MAPT (0.65) ALDH1A1MAPTLMNAHTTGAA

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 ALDH1A1 204/4885MAPT 759/4885LMNA 2198/4885

“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.