SCHEMBL1706045

SCHEMBL1706045

CC(C)(C)OC(=O)N(N)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.41
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.38
PTGES O14684 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PTPN11 Q06124 1/20 0.36
PAX8 Q06710 1/20 0.36
HNF4A P41235 1/20 0.36
APP P05067 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2354804 0.87 L3MBTL1 (0.43) NPSR1MAPTRAB9APAX8SMN1; SMN2
SCHEMBL2529611 0.85 MT-CO2 (0.42) MAPTNPC1RAB9ACA12CA1
SCHEMBL5604575 0.84 PAX8 (0.43) MAPTPTGESNPC1CA12CA1
SCHEMBL2138873 0.82 GABRA1 (0.42) PTPN11PAX8
SCHEMBL2134821 0.81 GABRG2 (0.37) CA12CA1CA2CA9PAX8
SCHEMBL3868314 0.81 CHRNB2 (0.41) MAPTCA1CA2
SCHEMBL3768385 0.80 FFAR1 (0.42) FFAR1PTGESFFAR4
SCHEMBL5766183 0.80 MAPT (0.42) MAPTNPC1RARBRARGCA12
SCHEMBL3104540 0.79 NOX1 (0.50) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3410365 0.79 MT-CO2 (0.39) MAPTRAB9APAX8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 US disclosed
EP-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP disclosed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 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 (2 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-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 FFAR1 1248/4885NPSR1 4211/4885MAPT 2031/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 FFAR1 1248/4885NPSR1 4211/4885MAPT 2031/4885

“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.