SCHEMBL213185

SCHEMBL213185

O=C(O)c1ccc(CNc2ccc(N3CCOCC3)c(F)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.69
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 3/20 0.64
HSD17B10 Q99714 4/20 0.56
TSHR P16473 3/20 0.56
HTT P42858 2/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
SERPINE1 P05121 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL8275458 0.86 GAA (0.68) GAAKDM4EALDH1A1HPGDTSHR
SCHEMBL213438 0.82 HDAC1 (0.66) GAAKDM4EALDH1A1HPGDHTT
SCHEMBL1064409 0.82 L3MBTL1 (0.67) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8425436 0.81 NPC1 (0.58) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7551515 0.80 GAA (0.67) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2579603 0.80 HPGD (0.74) KDM4EALDH1A1HPGDTSHRHTT
SCHEMBL12126882 0.78 HPGD (0.61) GAAKDM4EALDH1A1HPGDTSHR
SCHEMBL6988691 0.76 HTT (0.67) KDM4EALDH1A1HPGDTSHRHTT
SCHEMBL483896 0.75 GAA (0.55) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30701802 0.75 ALDH2 (0.75) GAAKDM4EALDH1A1HPGDHSD17B10

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 GAA 152/4885KDM4E 258/4885ALDH1A1 680/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 GAA 144/4885KDM4E 337/4885ALDH1A1 758/4885

“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.