SCHEMBL4255490

SCHEMBL4255490

O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.73
KMT2A Q03164 7/20 0.73
MEN1 O00255 6/20 0.73
HTT P42858 5/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
ALDH1A1 P00352 12/20 0.72
PKM P14618 1/20 0.72
SMN1; SMN2 Q16637 7/20 0.69
LMNA P02545 7/20 0.68
MAPK1 P28482 5/20 0.68
RAF1 P04049 1/20 0.68
NPC1 O15118 2/20 0.66
GAA P10253 1/20 0.65
HPGD P15428 1/20 0.63
RAB9A P51151 3/20 0.62
KDM4E B2RXH2 1/20 0.61

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
SCHEMBL4251103 0.92 MAPT (0.71) MAPTKMT2AMEN1HTTCYP3A4
SCHEMBL4258370 0.87 MAPT (0.71) MAPTKMT2AMEN1HTTCYP3A4
SCHEMBL4253151 0.87 MAPT (0.71) MAPTKMT2AMEN1HTTCYP3A4
SCHEMBL4257494 0.87 MAPT (0.78) MAPTKMT2AMEN1HTTCYP3A4
SCHEMBL4257098 0.87 MAPT (0.80) MAPTKMT2AMEN1HTTCYP3A4
SCHEMBL4250821 0.87 MAPT (0.71) MAPTKMT2AMEN1HTTCYP3A4
SCHEMBL4253921 0.84 MAPT (0.68) MAPTKMT2AMEN1HTTCYP3A4
SCHEMBL4255526 0.84 MAPT (0.76) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL4251609 0.83 MAPT (0.74) MAPTKMT2AMEN1HTTCYP3A4
SCHEMBL4250981 0.82 MAPT (0.74) MAPTKMT2AMEN1HTTCYP3A4

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 759/4885KMT2A 632/4885MEN1 1233/4885

“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.