SCHEMBL3556560

SCHEMBL3556560

Cn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.67
MMP13 P45452 1/20 0.66
SLC22A8 Q8TCC7 1/20 0.66
HDAC6 Q9UBN7 7/20 0.59
HDAC11 Q96DB2 6/20 0.59
HDAC8 Q9BY41 6/20 0.59
HDAC3 O15379 1/20 0.55
HDAC2 Q92769 1/20 0.55
MELK Q14680 1/20 0.55
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
EGFR P00533 2/20 0.51
SRC P12931 2/20 0.51
FOLH1 Q04609 1/20 0.50
TNF P01375 1/20 0.50
AGTR1 P30556 1/20 0.50
AGTR2 P50052 1/20 0.50
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL19555085 0.87 MAPK8 (0.66) HDAC1HDAC6HDAC11HDAC8MAPK8
SCHEMBL1058355 0.86 HDAC1 (0.66) HDAC1MMP13SLC22A8HDAC6HDAC11
SCHEMBL6241073 0.86 MMP13 (0.71) HDAC1MMP13SLC22A8HDAC6HDAC11
SCHEMBL16668021 0.85 HDAC1 (0.67) HDAC1HDAC6HDAC11HDAC8HDAC3
SCHEMBL5070223 0.84 HDAC1 (0.59) HDAC1MMP13SLC22A8HDAC6HDAC11
SCHEMBL6509732 0.83 MEN1 (0.60) HDAC1MAPK8MAPK9TP53THRB
SCHEMBL17241596 0.83 TSHR (0.62) HDAC1MAPK8MAPK9TNFTP53
SCHEMBL7095851 0.83 MMP13 (0.65) HDAC1MMP13SLC22A8HDAC6HDAC11
SCHEMBL6392927 0.83 MMP13 (0.83) HDAC1MMP13SLC22A8HDAC6HDAC11
SCHEMBL6247398 0.83 MMP13 (0.64) HDAC1MMP13SLC22A8HDAC6HDAC11

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 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 (4 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885MMP13 449/4885SLC22A8 4653/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885MMP13 449/4885SLC22A8 4653/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885MMP13 449/4885SLC22A8 4653/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885MMP13 449/4885SLC22A8 4653/4885

“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.