SCHEMBL1706076

SCHEMBL1706076

CC(C)(C(=O)OCc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
HPGD P15428 1/20 0.57
MAPT P10636 6/20 0.53
LMNA P02545 5/20 0.53
HTT P42858 4/20 0.53
KDM4E B2RXH2 2/20 0.52
HSD11B1 P28845 4/20 0.52
HSD11B2 P80365 1/20 0.52
ALDH1A1 P00352 4/20 0.51
SMO Q99835 2/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
TGM2 P21980 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
IDE P14735 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 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
SCHEMBL233562 0.82 HSD11B1 (0.62) SMN1; SMN2HPGDMAPTLMNAHTT
SCHEMBL234341 0.81 MAPT (0.62) SMN1; SMN2HPGDMAPTLMNAHTT
SCHEMBL20792927 0.79 ALDH1A1 (0.53) SMN1; SMN2LMNAALDH1A1L3MBTL1MEN1
SCHEMBL15908148 0.79 ALDH1A1 (0.53) SMN1; SMN2LMNAALDH1A1L3MBTL1MEN1
SCHEMBL646250 0.78 TGM2 (0.52) SMN1; SMN2HPGDMAPTLMNAHTT
SCHEMBL1904861 0.78 SMN1; SMN2 (0.60) SMN1; SMN2HPGDMAPTLMNAHTT
SCHEMBL27857605 0.78 CHRM2 (0.52) SMN1; SMN2HPGDMAPTLMNAHTT
SCHEMBL27903439 0.77 HSD11B1 (0.65) SMN1; SMN2HPGDMAPTLMNAKDM4E
SCHEMBL27757136 0.76 LMNA (0.51) SMN1; SMN2HPGDMAPTLMNAHTT
SCHEMBL26851522 0.75 HSD11B1 (0.66) SMN1; SMN2HPGDMAPTKDM4EHSD11B1

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 7 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
CN-102459159-A Alkanoylamino benzamide aniline hdac inihibitor compounds GILEAD COLORADO INC 2012-05-16 CN 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 SMN1; SMN2 2428/4885HPGD 1789/4885MAPT 2031/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 SMN1; SMN2 2428/4885HPGD 1789/4885MAPT 2031/4885

“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.