SCHEMBL212351

SCHEMBL212351

COc1cc(NCc2ccc3oc(C(=O)Nc4ccccc4N)cc3c2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.71
HDAC2 Q92769 2/20 0.57
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1065598 0.91 HDAC1 (0.71) HDAC1HDAC2RAB9ANPC1SMN1; SMN2
SCHEMBL1080617 0.91 HDAC1 (0.71) HDAC1HDAC2RAB9ANPC1SMN1; SMN2
SCHEMBL13390608 0.89 HDAC1 (0.60) HDAC1HDAC2RAB9ANPC1SMN1; SMN2
SCHEMBL1068361 0.84 HDAC1 (0.64) HDAC1HDAC2
SCHEMBL1082384 0.84 HDAC1 (0.55) HDAC1HDAC2RAB9ANPC1MEN1
SCHEMBL1064968 0.83 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL5583473 0.82 LMNA (0.56) HDAC1HDAC2L3MBTL1
SCHEMBL212028 0.81 HDAC4 (0.57) HDAC1HDAC2RAB9ANPC1SMN1; SMN2
SCHEMBL1062997 0.81 HDAC1 (0.94) HDAC1HDAC2
SCHEMBL5787768 0.80 KMT2A (0.48) HDAC1HDAC2RAB9ANPC1MEN1

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 8 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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
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-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
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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 (1 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 HDAC1 1/4885HDAC2 10/4885RAB9A 3036/4885

“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.