SCHEMBL4253151

SCHEMBL4253151

O=C(Nc1ccc(F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.71
ALDH1A1 P00352 12/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
HTT P42858 5/20 0.71
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
LMNA P02545 4/20 0.71
MAPK1 P28482 3/20 0.71
PKM P14618 1/20 0.69
NPC1 O15118 3/20 0.68
HPGD P15428 1/20 0.65
RAB9A P51151 4/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
GAA P10253 1/20 0.64

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
SCHEMBL4257494 0.89 MAPT (0.78) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL4258370 0.89 MAPT (0.71) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL4257098 0.89 MAPT (0.80) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL4253852 0.89 MAPT (0.72) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL4255490 0.87 MAPT (0.73) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL4253921 0.86 MAPT (0.68) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL4255526 0.86 MAPT (0.76) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL4254178 0.86 MAPT (0.65) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL4251609 0.85 MAPT (0.74) MAPTALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL4250821 0.84 MAPT (0.71) MAPTALDH1A1SMN1; SMN2HTTKMT2A

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
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
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 MAPT 759/4885ALDH1A1 204/4885SMN1; SMN2 155/4885

“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.