SCHEMBL4252909

SCHEMBL4252909

O=C(Nc1ccccc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.76
HDAC6 Q9UBN7 2/20 0.76
MAPT P10636 8/20 0.74
NPC1 O15118 5/20 0.74
RAB9A P51151 5/20 0.74
TP53 P04637 3/20 0.74
PKM P14618 2/20 0.74
ATM Q13315 1/20 0.74
MAPK1 P28482 1/20 0.74
LMNA P02545 2/20 0.71
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 2/20 0.69
SMN1; SMN2 Q16637 3/20 0.67
EPHX1 P07099 1/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
HIF1A Q16665 1/20 0.67
EPAS1 Q99814 1/20 0.67

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
SCHEMBL2565238 0.94 HDAC8 (0.76) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL1662743 0.88 HDAC8 (0.68) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL1663783 0.88 HDAC8 (0.81) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL8770431 0.88 HDAC8 (0.81) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL4251987 0.88 RAB9A (0.85) HDAC6MAPTNPC1RAB9ATP53
SCHEMBL6424561 0.86 KMO (0.63) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL4414247 0.85 HDAC8 (0.77) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL3462140 0.85 HDAC8 (0.72) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL4424762 0.85 HDAC8 (0.77) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL13907635 0.85 NPC1 (1.00) HDAC8HDAC6MAPTNPC1RAB9A

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
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 HDAC8 125/4885HDAC6 22/4885MAPT 759/4885

“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.