SCHEMBL1059639

SCHEMBL1059639

Nc1ccccc1NC(=O)/C=C\c1ccc(N/C=C/c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.63
MMP1 P03956 2/20 0.57
MMP2 P08253 2/20 0.57
MMP9 P14780 2/20 0.57
EGFR P00533 1/20 0.57
HDAC4 P56524 3/20 0.57
MEF2D Q14814 3/20 0.57
EP300 Q09472 1/20 0.57
HDAC3 O15379 1/20 0.56

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
SCHEMBL1059642 1.00 HDAC1 (0.63) HDAC1MMP1MMP2MMP9EGFR
SCHEMBL3228591 0.88 EGFR (0.71) HDAC1MMP1MMP2MMP9EGFR
SCHEMBL3228583 0.88 EGFR (0.71) HDAC1MMP1MMP2MMP9EGFR
SCHEMBL1062819 0.83 HDAC1 (0.70) HDAC1HDAC3
SCHEMBL1062816 0.83 HDAC1 (0.70) HDAC1HDAC3
SCHEMBL2640602 0.82 HDAC1 (0.66) HDAC1MMP1MMP2MMP9EGFR
SCHEMBL8349331 0.81 HDAC1 (0.69) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL7978520 0.81 HDAC1 (0.64) HDAC1MMP1MMP2MMP9EGFR
SCHEMBL4536420 0.80 TRPA1 (0.68) HDAC1MMP1MMP2MMP9EGFR
SCHEMBL8348482 0.80 TRPA1 (0.68) HDAC1MMP1MMP2MMP9EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
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
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
EP-1429765-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2004-06-23 EP disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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 (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 1/4885MMP1 447/4885MMP2 408/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885MMP1 447/4885MMP2 408/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885MMP1 447/4885MMP2 408/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885MMP1 447/4885MMP2 408/4885

“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.