SCHEMBL3771305

SCHEMBL3771305

CC(C(=O)Nc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)c(F)cc2NC(=O)OC(C)(C)C)cc1)N1CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
RORC P51449 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HDAC1 Q13547 5/20 0.36
HDAC3 O15379 4/20 0.36
NCOR2 Q9Y618 4/20 0.36
HDAC2 Q92769 4/20 0.36
FSHR P23945 1/20 0.35
KDM4E B2RXH2 1/20 0.35
WDR5 P61964 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
WNT3A P56704 1/20 0.34
PTPN1 P18031 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2C P28335 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL3771447 0.89 F10 (0.42) F10RORCHDAC1HDAC3NCOR2
SCHEMBL3771256 0.86 HDAC1 (0.50) F10HDAC1HDAC3NCOR2HDAC2
SCHEMBL3771312 0.80 F10 (0.38) F10HDAC1HDAC3NCOR2HDAC2
SCHEMBL3771529 0.78 WDR5 (0.42) F10CD274HDAC1HDAC3NCOR2
SCHEMBL3760306 0.78 HDAC2 (0.52) HDAC1HDAC3NCOR2HDAC2
SCHEMBL3771366 0.78 HDAC2 (0.52) HDAC1HDAC3NCOR2HDAC2
SCHEMBL3760303 0.78 HDAC2 (0.52) HDAC1HDAC3NCOR2HDAC2
SCHEMBL3771514 0.78 KCNQ4 (0.39) F10RORCHDAC1HDAC3HDAC2
SCHEMBL14057611 0.77 F10 (0.45) F10RORCCD274HDAC1HDAC3
SCHEMBL3771333 0.77 F10 (0.43) F10HDAC1HDAC3NCOR2HDAC2

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 F10 4332/4885RORC 1671/4885CD274 4470/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 F10 4332/4885RORC 1671/4885CD274 4470/4885

“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.