SCHEMBL212531

SCHEMBL212531

COc1cc(-c2cc(NCc3ccc(C(=O)O)cc3)[nH]n2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL212219 0.82 HDAC1 (0.70) HDAC1HDAC8HDAC3HDAC6HDAC7
SCHEMBL210512 0.81 HDAC1 (0.49) NR1H4HDAC1RAB9ASMN1; SMN2VCP
SCHEMBL29256887 0.75 MAPT (0.73) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL25418742 0.74 HDAC3 (0.62) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL29256889 0.73 MAPT (0.61) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL25212843 0.73 MAPT (0.71) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL211241 0.73 NR1H4 (0.53) NR1H4HDAC1HDAC8HDAC3HDAC6
SCHEMBL25196067 0.73 ALPL (0.62) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL25216456 0.72 HDAC3 (0.62) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL1565982 0.72 NR1H4 (0.61) NR1H4KMT2AL3MBTL1KDM4ERAB9A

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 11 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-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
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 NEK2 591/4885NR1H4 2496/4885HDAC1 1/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 NEK2 724/4885NR1H4 1752/4885HDAC1 1/4885

“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.