SCHEMBL4254178

SCHEMBL4254178

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.65
ALDH1A1 P00352 11/20 0.65
HTT P42858 5/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
LMNA P02545 5/20 0.64
MAPK1 P28482 4/20 0.64
NPC1 O15118 2/20 0.62
PKM P14618 1/20 0.62
HPGD P15428 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP3A4 P08684 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
GAA P10253 1/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RAB9A P51151 2/20 0.58
ABL1 P00519 1/20 0.55

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
SCHEMBL4248601 0.90 MAPT (0.65) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL4255526 0.87 MAPT (0.76) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL4253151 0.86 MAPT (0.71) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL4258370 0.84 MAPT (0.71) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL4257098 0.84 MAPT (0.80) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL4257494 0.84 MAPT (0.78) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL4255490 0.82 MAPT (0.73) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL4250821 0.81 MAPT (0.71) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL4253921 0.81 MAPT (0.68) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL4252130 0.81 MAPT (0.79) MAPTALDH1A1HTTMEN1KMT2A

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 MAPT 759/4885ALDH1A1 204/4885HTT 851/4885

“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.