SCHEMBL8167653

SCHEMBL8167653

O=C(NCC1CCCCC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.69
HDAC3 O15379 1/20 0.69
HDAC4 P56524 1/20 0.69
HDAC1 Q13547 1/20 0.69
HDAC7 Q8WUI4 1/20 0.69
HDAC2 Q92769 1/20 0.69
HDAC10 Q969S8 1/20 0.69
HDAC11 Q96DB2 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC9 Q9UKV0 1/20 0.69
HDAC5 Q9UQL6 1/20 0.69
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.64
MLYCD O95822 1/20 0.63
CA2 P00918 1/20 0.62
ALDH1A1 P00352 3/20 0.60
MMP13 P45452 1/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL4522241 0.91 SMN1; SMN2 (0.76) HDAC6HDAC3MEN1KMT2ASMN1; SMN2
SCHEMBL8395225 0.91 SMN1; SMN2 (0.76) HDAC6HDAC3MEN1KMT2ASMN1; SMN2
SCHEMBL25123079 0.91 SMN1; SMN2 (0.76) HDAC6HDAC3MEN1KMT2ASMN1; SMN2
SCHEMBL8391563 0.89 SMN1; SMN2 (0.73) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL10722498 0.89 HDAC6 (0.77) HDAC6MEN1KMT2ASMN1; SMN2MLYCD
SCHEMBL13096664 0.88 MEN1 (0.76) HDAC6HDAC3HDAC4HDAC1HDAC7
Methyl Alcohol SCHEMBL11518093 0.88 SMN1; SMN2 (0.72) HDAC6MEN1KMT2ASMN1; SMN2MLYCD
SCHEMBL1927570 0.87 MEN1 (0.83) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8393362 0.85 SMN1; SMN2 (0.68) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3642217 0.84 SMN1; SMN2 (0.60) HDAC6HDAC3HDAC4HDAC1HDAC7

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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM3 HDAC6 1276/4885HDAC3 397/4885HDAC4 740/4885

“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.