SCHEMBL209551

SCHEMBL209551

COC(=O)c1ccc(Cc2cc(C(N)=O)c(N)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
GAA P10253 4/20 0.48
HTT P42858 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 3/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL2732583 0.84 LOXL2 (0.50) MAPTGAAHTTLOXL2CA12
SCHEMBL1564819 0.80 MAPT (0.59) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL210381 0.80 LOXL2 (0.46) MAPTGAAHTTLOXL2CA12
SCHEMBL5105542 0.79 MAPT (0.56) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL211601 0.74 MAPT (0.42) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL27459761 0.73 MAPT (0.60) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL4160460 0.73 TSHR (0.72) MAPTHTTLOXL2CA12CA1
SCHEMBL19850539 0.73 GAA (0.45) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL69454 0.73 LOXL2 (0.70) MAPTGAALOXL2CA12CA1
SCHEMBL23837175 0.72 MAPT (0.55) MAPTGAAHTTCA1CA2

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 MAPT 3612/4885GAA 152/4885HTT 502/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 MAPT 3905/4885GAA 144/4885HTT 525/4885

“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.