SCHEMBL210355

SCHEMBL210355

COc1cc2nc(C(S)c3ccc(C(=O)O)cc3)[nH]c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 3/20 0.50
EGLN1 Q9GZT9 2/20 0.48
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
F9 P00740 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
F10 P00742 1/20 0.41
HSP90AA1 P07900 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL1065417 0.85 MLKL (0.47) MLKLEGLN1CA1CA2TDP1
SCHEMBL210928 0.81 EGLN1 (0.45) MLKLEGLN1F10HSP90AA1ESR2
SCHEMBL210719 0.80 HDAC1 (0.52) L3MBTL1
SCHEMBL210571 0.78 MLKL (0.39) MLKLEGLN1F9TDP1CHEK2
SCHEMBL21102087 0.73 KDM4E (0.57) EGLN1L3MBTL1F10
SCHEMBL1063186 0.72 ALDH1A1 (0.43) MLKLL3MBTL1HSP90AA1TDP1CYP1A2
SCHEMBL4541914 0.71 RXRA (0.50) L3MBTL1CA12CA1CA2CA4
SCHEMBL210356 0.71 CYP2E1 (0.74) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL10700864 0.68 ALDH1A1 (0.39) F10CYP1A2
SCHEMBL18785691 0.68 MLKL (0.68) MLKLEGLN1HSP90AA1ESR2TDP1

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 MLKL 2383/4885EGLN1 425/4885PDGFRB 3370/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 MLKL 3184/4885EGLN1 587/4885PDGFRB 3152/4885

“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.