SCHEMBL1706557

SCHEMBL1706557

[CH2]C(C(=O)O)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.39
FDPS P14324 2/20 0.36
ALDH1A1 P00352 4/20 0.31
CYP1A2 P05177 4/20 0.31
CYP2C19 P33261 4/20 0.31
CYP2C9 P11712 3/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30

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
SCHEMBL27980815 0.78 OPRD1 (0.39) ALDH1A1KMT2ATSHRSLC6A2MEN1
SCHEMBL27638795 0.78 OPRD1 (0.39) ALDH1A1KMT2ATSHRSLC6A2MEN1
SCHEMBL3765778 0.75 FDPS (0.38) DPP7LMNAGAAFDPSALDH1A1
SCHEMBL11173567 0.72 DPP7 (0.45) DPP7LMNAGAAFDPSALDH1A1
SCHEMBL10666808 0.72 FDPS (0.35) DPP7GAAFDPSALDH1A1
SCHEMBL24252432 0.70 DPP7 (0.43) DPP7LMNAGAAFDPSALDH1A1
SCHEMBL3969170 0.70 DPP7 (0.48) DPP7LMNAGAAFDPSALDH1A1
SCHEMBL11687527 0.70 DPP7 (0.48) DPP7LMNAGAAFDPSALDH1A1
SCHEMBL26986914 0.70 DPP7 (0.48) DPP7LMNAGAAFDPSALDH1A1
SCHEMBL3559523 0.70 DPP7 (0.48) DPP7LMNAGAAFDPSALDH1A1

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 DPP7 448/4885LMNA 451/4885GAA 66/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 DPP7 448/4885LMNA 451/4885GAA 66/4885

“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.