SCHEMBL3768385

SCHEMBL3768385

CC(C)(C)OC(=O)N(N)c1ccc(C#CC2CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 2/20 0.37
HAO1 Q9UJM8 5/20 0.37
MT-CO2 P00403 1/20 0.35
PTGES O14684 1/20 0.33
BACE1 P56817 1/20 0.33
ALDH2 P05091 1/20 0.32

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
SCHEMBL2529611 0.81 MT-CO2 (0.42) MT-CO2
SCHEMBL1706045 0.80 FFAR1 (0.41) FFAR1FFAR4PTGES
SCHEMBL1706741 0.78 FFAR1 (0.53) FFAR1FFAR4HAO1PTGES
SCHEMBL2138873 0.78 GABRA1 (0.42) MT-CO2
SCHEMBL3868314 0.77 CHRNB2 (0.41) MT-CO2
SCHEMBL2134821 0.77 GABRG2 (0.37) MT-CO2
SCHEMBL3410365 0.75 MT-CO2 (0.39) MT-CO2
SCHEMBL977449 0.75 ALDH1A1 (0.42) MT-CO2
SCHEMBL3871651 0.73 KDM4E (0.45) MT-CO2
SCHEMBL14740797 0.73 RAB9A (0.41) MT-CO2

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 FFAR1 1248/4885FFAR4 1457/4885HAO1 3419/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 FFAR1 1248/4885FFAR4 1457/4885HAO1 3419/4885

“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.