SCHEMBL3773374

SCHEMBL3773374

CC(C)(C)OC(=O)N(NC(=O)c1ccc(N)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 3/20 0.44
TACR3 P29371 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL6684438 0.84 TDP1 (0.46) TDP1L3MBTL1KMT2AHDAC3HDAC1
SCHEMBL6047114 0.82 TDP1 (0.42) TDP1L3MBTL1KMT2ATACR3HDAC3
SCHEMBL650775 0.82 HDAC1 (0.44) L3MBTL1KMT2AHDAC3HDAC1HDAC2
SCHEMBL1083105 0.81 TDP1 (0.43) TDP1L3MBTL1KMT2AHDAC3HDAC1
SCHEMBL1705536 0.80 TDP1 (0.60) TDP1L3MBTL1KMT2AHDAC3HDAC1
SCHEMBL10565579 0.79 AKT1 (0.49) TDP1L3MBTL1KMT2ASMN1; SMN2POLB
SCHEMBL7928008 0.76 TDP1 (0.46) TDP1L3MBTL1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29966052 0.76 TDP1 (0.46) TDP1L3MBTL1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2132839 0.75 CYP2C9 (0.49) KMT2AHDAC3HDAC1HDAC2NCOR2
SCHEMBL2133980 0.75 KMT2A (0.46) L3MBTL1KMT2AHDAC1SMN1; SMN2POLB

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 TDP1 2124/4885L3MBTL1 2506/4885KMT2A 47/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 TDP1 2124/4885L3MBTL1 2506/4885KMT2A 47/4885

“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.