SCHEMBL7789012

SCHEMBL7789012

CC(C(=O)Nc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.57
HDAC2 Q92769 8/20 0.57
HDAC3 O15379 7/20 0.57
WNT3A P56704 5/20 0.49
PIK3CA P42336 1/20 0.49
AAK1 Q2M2I8 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
SCHEMBL14058711 1.00 HDAC1 (0.57) HDAC1HDAC2HDAC3WNT3APIK3CA
SCHEMBL14058709 0.92 WNT3A (0.50) HDAC1HDAC2HDAC3WNT3APIK3CA
SCHEMBL3763356 0.92 HDAC2 (0.56) HDAC1HDAC2HDAC3
SCHEMBL3770112 0.84 HDAC1 (0.66) HDAC1HDAC2HDAC3
SCHEMBL3762337 0.82 HDAC1 (0.58) HDAC1HDAC2HDAC3PIK3CA
SCHEMBL3760306 0.82 HDAC2 (0.52) HDAC1HDAC2HDAC3
SCHEMBL3771366 0.82 HDAC2 (0.52) HDAC1HDAC2HDAC3
SCHEMBL3760303 0.82 HDAC2 (0.52) HDAC1HDAC2HDAC3
SCHEMBL3764997 0.81 ATM (0.64) HDAC1HDAC2HDAC3WNT3APIK3CA
SCHEMBL3770105 0.80 HDAC2 (0.58) HDAC1HDAC2HDAC3

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 11 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-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
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

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 HDAC1 1/4885HDAC2 5/4885HDAC3 6/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 HDAC1 1/4885HDAC2 5/4885HDAC3 6/4885

“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.