SCHEMBL974430

SCHEMBL974430

COc1ccc(-c2ccccc2C(=O)NO)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
POLB P06746 1/20 0.67
MMP2 P08253 3/20 0.60
MMP9 P14780 3/20 0.60
MMP8 P22894 3/20 0.60
MMP12 P39900 3/20 0.60
MMP13 P45452 3/20 0.60
MMP14 P50281 3/20 0.60
MMP16 P51512 3/20 0.60
MMP3 P08254 2/20 0.60
MMP1 P03956 1/20 0.60
KDM4E B2RXH2 2/20 0.55
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54

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
SCHEMBL29201481 0.87 GAA (0.67) GAAPOLBKDM4ETUBB4ATUBB
SCHEMBL9117254 0.84 GAA (0.63) GAAPOLBKDM4ETUBB4ATUBB
SCHEMBL6276231 0.83 SLC6A3 (0.71) GAAPOLBKDM4ETUBB4ATUBB
SCHEMBL977594 0.83 GAA (0.65) GAAPOLBKDM4ETUBB4ATUBB
SCHEMBL8715012 0.83 GAA (0.89) GAAPOLBKDM4ECYP2C9SMN1; SMN2
SCHEMBL31393767 0.83 GAA (0.89) GAAPOLBKDM4ECYP2C9SMN1; SMN2
SCHEMBL30045516 0.83 GAA (0.60) GAAPOLBKDM4ETUBB4ATUBB
SCHEMBL29011848 0.83 GAA (0.60) GAAPOLBKDM4ETUBB4ATUBB
SCHEMBL269580 0.81 SMN1; SMN2 (0.70) GAAPOLBKDM4ETUBB4ATUBB
SCHEMBL1515687 0.81 GAA (0.63) GAAPOLBKDM4ETUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 GAA 245/4885POLB 537/4885MMP2 247/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 GAA 245/4885POLB 537/4885MMP2 247/4885

“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.