SCHEMBL3765429

SCHEMBL3765429

CC(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 2/20 0.52
PANK3 Q9H999 1/20 0.51
HSD11B1 P28845 4/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
HDAC1 Q13547 7/20 0.50
PTGS1 P23219 1/20 0.50
NAMPT P43490 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL1706069 0.87 MAPT (0.51) SMN1; SMN2MAPTKDM4EPANK3HSD11B1
SCHEMBL3770105 0.86 HDAC2 (0.58) SMN1; SMN2MAPTKDM4EPANK3HSD11B1
SCHEMBL3771268 0.84 MAPT (0.58) SMN1; SMN2MAPTKDM4EHSD11B1LMNA
SCHEMBL27874257 0.84 MAPT (0.49) SMN1; SMN2MAPTKDM4EPANK3HSD11B1
SCHEMBL211385 0.84 MAPT (0.63) SMN1; SMN2MAPTKDM4ELMNAHTT
SCHEMBL3763365 0.79 HDAC1 (0.61) SMN1; SMN2HDAC1ALDH1A1
SCHEMBL209647 0.78 HDAC1 (0.58) SMN1; SMN2MAPTLMNAHTTHDAC1
SCHEMBL233242 0.73 HSD11B1 (0.60) SMN1; SMN2MAPTKDM4EPANK3HSD11B1
SCHEMBL231869 0.73 HSD11B1 (0.60) SMN1; SMN2MAPTKDM4EPANK3HSD11B1
SCHEMBL232105 0.72 SMN1; SMN2 (0.61) SMN1; SMN2MAPTKDM4EPANK3HSD11B1

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 14 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-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-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
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
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 SMN1; SMN2 2428/4885MAPT 2031/4885KDM4E 140/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 SMN1; SMN2 2428/4885MAPT 2031/4885KDM4E 140/4885

“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.