SCHEMBL1705532

SCHEMBL1705532

Nc1ccccc1NC(=O)c1ccc(NC(=O)C(c2ccccc2)N2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TSHR P16473 1/20 0.63
HDAC1 Q13547 12/20 0.60
HDAC3 O15379 6/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
PIK3CA P42336 2/20 0.56
NCOR2 Q9Y618 1/20 0.54
ADRB2 P07550 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL2686963 0.88 HDAC1 (0.60) ALDH1A1TSHRHDAC1HDAC3HDAC2
SCHEMBL5378816 0.81 ALDH1A1 (0.76) ALDH1A1TSHRADRB2SMN1; SMN2
SCHEMBL1689189 0.80 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2107670 0.80 HDAC1 (0.82) ALDH1A1HDAC1HDAC3HDAC2HDAC4
SCHEMBL2685019 0.80 HDAC1 (0.53) ALDH1A1TSHRHDAC1HDAC3HDAC2
SCHEMBL2686862 0.79 HDAC1 (0.58) ALDH1A1HDAC1HDAC3HDAC2HDAC4
SCHEMBL2686423 0.78 HDAC1 (0.52) ALDH1A1HDAC1HDAC3HDAC2HDAC4
SCHEMBL12963506 0.77 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2686406 0.77 ABCB1 (0.61) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2685756 0.77 HDAC1 (0.50) ALDH1A1HDAC1HDAC3HDAC2NCOR2

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 17 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 claimed
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 US claimed
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
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-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 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
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 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
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
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US 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 ALDH1A1 339/4885TSHR 3192/4885HDAC1 1/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 ALDH1A1 339/4885TSHR 3192/4885HDAC1 1/4885

“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.