SCHEMBL3766944

SCHEMBL3766944

C#CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 8/20 0.42
KCNQ4 P56696 3/20 0.41
KCNQ5 Q9NR82 3/20 0.41
HDAC1 Q13547 10/20 0.40
WDR5 P61964 1/20 0.38
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HDAC3 O15379 2/20 0.36
NCOR2 Q9Y618 1/20 0.35
PTPN1 P18031 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3760243 0.86 HDAC2 (0.43) HDAC2HDAC1WDR5MAPTTHRB
SCHEMBL1705492 0.76 HDAC1 (0.51) HDAC2KCNQ4KCNQ5HDAC1WDR5
SCHEMBL1705996 0.75 HDAC2 (0.37) HDAC2HDAC1HDAC3
SCHEMBL3766947 0.73 LTB4R2 (0.35) HDAC2KCNQ4KCNQ5HDAC1PTPN1
SCHEMBL651937 0.71 HDAC1 (0.49) HDAC2HDAC1HDAC3
SCHEMBL23155538 0.67 ACHE (0.39)
SCHEMBL29812125 0.67 ACHE (0.39)
SCHEMBL29811918 0.67 MAPK1 (0.46) KCNQ4KCNQ5
SCHEMBL23143701 0.67 MAPK1 (0.46) KCNQ4KCNQ5
SCHEMBL30091846 0.67 HDAC1 (0.56) HDAC2KCNQ4KCNQ5HDAC1MAPT

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 4 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
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 HDAC2 5/4885KCNQ4 3579/4885KCNQ5 2888/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 HDAC2 5/4885KCNQ4 3579/4885KCNQ5 2888/4885

“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.