SCHEMBL3763376

SCHEMBL3763376

CC(C)(C)OC(=O)N(N)c1ccc(-c2ccc(Cl)s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.38
PAX8 Q06710 1/20 0.38
HSD17B1 P14061 3/20 0.38
HSD17B2 P37059 2/20 0.38
MT-CO2 P00403 1/20 0.37
HDAC2 Q92769 5/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC3 O15379 3/20 0.36
APP P05067 1/20 0.34
PGR P06401 1/20 0.34
MAPT P10636 2/20 0.33
SLC6A7 Q99884 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL2529611 0.80 MT-CO2 (0.42) PAX8MT-CO2HDAC2HDAC1MAPT
SCHEMBL4579410 0.79 IKBKB (0.45) IKBKBHSD17B1HSD17B2HDAC2HDAC1
SCHEMBL15308039 0.79 F2 (0.38) PAX8MT-CO2KDM4ENPC1RAB9A
SCHEMBL551649 0.78 MT-CO2 (0.53) MT-CO2MAPTALDH1A1POLB
SCHEMBL196445 0.77 HDAC1 (0.46) PAX8HDAC2HDAC1HDAC3
SCHEMBL20868851 0.77 AOC3 (0.40) PAX8HSD17B1HSD17B2
Ammonia Solution, Strong SCHEMBL21835780 0.76 HDAC1 (0.45) PAX8HDAC2HDAC1HDAC3
SCHEMBL5604575 0.76 PAX8 (0.43) PAX8MT-CO2MAPTNPC1CASP3
SCHEMBL3410365 0.74 MT-CO2 (0.39) PAX8MT-CO2MAPTRAB9AALDH1A1
SCHEMBL977449 0.74 ALDH1A1 (0.42) PAX8MT-CO2MAPTKDM4ENPC1

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 5 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
CN-102459159-A Alkanoylamino benzamide aniline hdac inihibitor compounds GILEAD COLORADO INC 2012-05-16 CN 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 IKBKB 425/4885PAX8 4000/4885HSD17B1 497/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 IKBKB 425/4885PAX8 4000/4885HSD17B1 497/4885

“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.