SCHEMBL3669916

SCHEMBL3669916

CC(C)(C)CCNC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 11/20 0.53
HDAC6 Q9UBN7 9/20 0.53
HDAC1 Q13547 5/20 0.53
MLYCD O95822 1/20 0.51
MCHR1 Q99705 1/20 0.50
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
TPH1 P17752 1/20 0.48
S1PR1 P21453 1/20 0.48

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
SCHEMBL3678875 0.89 MCHR1 (0.59) HDAC4HDAC6HDAC1MLYCDMCHR1
SCHEMBL3681008 0.87 MCHR1 (0.55) HDAC4HDAC6HDAC1MCHR1HDAC2
SCHEMBL3640576 0.83 HDAC4 (0.69) HDAC4HDAC6HDAC1MCHR1HDAC2
SCHEMBL7213166 0.82 MLYCD (0.71) HDAC6MLYCD
SCHEMBL7213208 0.79 SPHK2 (0.48) HDAC4HDAC6MLYCDMCHR1
SCHEMBL13931025 0.78 HDAC4 (0.55) HDAC4HDAC6HDAC1MCHR1HDAC2
SCHEMBL7218628 0.77 TP53 (0.53) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL16965137 0.77 LMNA (0.53) HDAC4HDAC6HDAC1MLYCDMCHR1
SCHEMBL3639924 0.76 MCHR1 (0.65) HDAC4HDAC6HDAC1MCHR1HDAC2
SCHEMBL3678380 0.75 MAPT (0.67) TPH1S1PR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101795689-B Positive allosteric modulators of benzamide mGluR5 and methods of making and using the same UNIV VANDERBILT 2014-11-19 CN disclosed
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
EP-2162136-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2010-03-17 EP disclosed
US-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
US-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
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
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 HDAC4 740/4885HDAC6 1276/4885HDAC1 1053/4885

“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.