SCHEMBL3773148

SCHEMBL3773148

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(NC(=O)C(C)(C)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
NAMPT P43490 1/20 0.49
HSD11B1 P28845 7/20 0.48
HSD11B2 P80365 1/20 0.48
GAA P10253 1/20 0.48
STAT3 P40763 1/20 0.47
POLB P06746 1/20 0.47
PANK3 Q9H999 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3771268 0.87 MAPT (0.58) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL1706069 0.86 MAPT (0.51) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL5225414 0.76 KCNH2 (0.57)
SCHEMBL5224627 0.74 HDAC1 (0.56)
SCHEMBL26851522 0.73 HSD11B1 (0.66) MAPTALDH1A1KDM4ESMN1; SMN2HSD11B1
SCHEMBL1753684 0.73 HDAC1 (0.65) LMNANAMPTMEN1KMT2A
SCHEMBL27874257 0.73 MAPT (0.49) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL3765429 0.72 SMN1; SMN2 (0.52) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL211385 0.72 MAPT (0.63) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL233562 0.71 HSD11B1 (0.62) MAPTALDH1A1KDM4ESMN1; SMN2LMNA

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 MAPT 2031/4885ALDH1A1 339/4885KDM4E 140/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 MAPT 2031/4885ALDH1A1 339/4885KDM4E 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.