SCHEMBL3760243

SCHEMBL3760243

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.43
HDAC1 Q13547 11/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
WDR5 P61964 1/20 0.39
GAA P10253 1/20 0.37
HDAC3 O15379 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1705996 0.88 HDAC2 (0.37) HDAC2HDAC1ADORA2AADORA2BADORA1
SCHEMBL3766944 0.86 HDAC2 (0.42) HDAC2HDAC1WDR5GAAHDAC3
SCHEMBL1705492 0.76 HDAC1 (0.51) HDAC2HDAC1WDR5GAAHDAC3
SCHEMBL16215452 0.76 AAK1 (0.33) ADORA2AADORA2BADORA1
SCHEMBL651937 0.72 HDAC1 (0.49) HDAC2HDAC1HDAC3
SCHEMBL3766947 0.70 LTB4R2 (0.35) HDAC2HDAC1
SCHEMBL25677024 0.67 LMNA (0.41) HDAC2HDAC1GAAHDAC3MAPT
SCHEMBL17572193 0.67 AAK1 (0.39) SMN1; SMN2
SCHEMBL30091846 0.67 HDAC1 (0.56) HDAC2HDAC1GAAHDAC3MAPT
SCHEMBL24900557 0.67 AAK1 (0.37)

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 5/4885HDAC1 1/4885ADORA2A 3496/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 HDAC2 5/4885HDAC1 1/4885ADORA2A 3496/4885

“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.