SCHEMBL1706069

SCHEMBL1706069

CC(C(=O)Nc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 2/20 0.49
PANK3 Q9H999 1/20 0.49
HSD11B1 P28845 5/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NAMPT P43490 1/20 0.47
STAT3 P40763 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3765429 0.87 SMN1; SMN2 (0.52) MAPTKDM4ESMN1; SMN2ALDH1A1PANK3
SCHEMBL3773148 0.86 MAPT (0.55) MAPTKDM4ESMN1; SMN2ALDH1A1PANK3
SCHEMBL27874257 0.86 MAPT (0.49) MAPTKDM4ESMN1; SMN2ALDH1A1PANK3
SCHEMBL3770105 0.78 HDAC2 (0.58) MAPTKDM4ESMN1; SMN2ALDH1A1PANK3
SCHEMBL5225414 0.74 KCNH2 (0.57)
SCHEMBL3771268 0.73 MAPT (0.58) MAPTKDM4ESMN1; SMN2ALDH1A1HSD11B1
SCHEMBL5224627 0.72 HDAC1 (0.56)
SCHEMBL232105 0.72 SMN1; SMN2 (0.61) MAPTKDM4ESMN1; SMN2ALDH1A1PANK3
SCHEMBL3771529 0.71 WDR5 (0.42) KDM4ESMN1; SMN2HTT
SCHEMBL233242 0.71 HSD11B1 (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1PANK3

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 6 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
EP-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP disclosed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO 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 MAPT 2031/4885KDM4E 140/4885SMN1; SMN2 2428/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 MAPT 2031/4885KDM4E 140/4885SMN1; SMN2 2428/4885

“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.