SCHEMBL4253852

SCHEMBL4253852

O=C(Nc1cccc(F)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.72
ALDH1A1 P00352 10/20 0.72
LMNA P02545 4/20 0.72
GAA P10253 1/20 0.72
POLB P06746 1/20 0.71
HTT P42858 5/20 0.69
PKM P14618 1/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
KMT2A Q03164 6/20 0.68
MEN1 O00255 4/20 0.68
RAB9A P51151 4/20 0.64
MAPK1 P28482 3/20 0.64
NPC1 O15118 3/20 0.63
HPGD P15428 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63

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
SCHEMBL4253151 0.89 MAPT (0.71) MAPTALDH1A1LMNAGAAHTT
SCHEMBL4250981 0.88 MAPT (0.74) MAPTALDH1A1LMNAGAAPOLB
SCHEMBL4249349 0.88 ALDH1A1 (0.72) MAPTALDH1A1LMNAGAAPOLB
SCHEMBL4252130 0.87 MAPT (0.79) MAPTALDH1A1LMNAGAAHTT
SCHEMBL4251103 0.87 MAPT (0.71) MAPTALDH1A1LMNAGAAHTT
SCHEMBL4248051 0.85 TAAR1 (0.78) MAPTALDH1A1LMNAGAAHTT
SCHEMBL4247726 0.85 MAPT (0.68) MAPTALDH1A1LMNAGAAHTT
SCHEMBL4248601 0.85 MAPT (0.65) MAPTALDH1A1LMNAGAAHTT
SCHEMBL4252926 0.84 MAPT (0.82) MAPTALDH1A1LMNAGAAHTT
SCHEMBL4250821 0.84 MAPT (0.71) MAPTALDH1A1LMNAGAAHTT

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
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO 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 MAPT 759/4885ALDH1A1 204/4885LMNA 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.