SCHEMBL3056372

SCHEMBL3056372

O=C(CCCCCCNC(=O)/C(=C\c1ccccc1)c1ccccc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.64
HDAC8 Q9BY41 11/20 0.64
HDAC3 O15379 9/20 0.64
HDAC4 P56524 9/20 0.64
HDAC2 Q92769 9/20 0.64
HDAC10 Q969S8 9/20 0.64
HDAC11 Q96DB2 9/20 0.64
HDAC6 Q9UBN7 9/20 0.64
HDAC9 Q9UKV0 9/20 0.64
HDAC5 Q9UQL6 9/20 0.64
HDAC7 Q8WUI4 8/20 0.64

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
SCHEMBL3050423 1.00 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3047631 1.00 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL13136810 1.00 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3050427 1.00 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL8083819 0.92 HDAC1 (0.66) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL1439834 0.89 LMNA (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL12094873 0.89 LMNA (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL1439835 0.89 LMNA (0.64) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL13178014 0.89 AKR1C3 (0.55) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3057351 0.88 LMNA (0.55) HDAC1HDAC8HDAC3HDAC4HDAC2

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-20100222379-A1 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-02 US claimed
EP-2205563-A2 NOVEL HISTONE DEACETYLASE INHIBITORS Orchid Research Laboratories Limited (IN) 2010-07-14 EP claimed
WO-2009047615-A2 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-16 WO claimed
US-8476255-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-07-02 US disclosed
US-8476255-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-07-02 US disclosed
US-8476255-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-07-02 US disclosed
US-20100222379-A1 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100222379-A1 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100222379-A1 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
EP-2205563-A2 NOVEL HISTONE DEACETYLASE INHIBITORS Orchid Research Laboratories Limited (IN) 2010-07-14 EP disclosed
WO-2009047615-A2 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-16 WO disclosed
WO-2009047615-A2 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-16 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 (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-20100222379-A1 NOVEL HISTONE DEACETYLASE INHIBITORS HDAC5, HDAC2, HDAC1 HDAC1 3/4885HDAC8 5/4885HDAC3 13/4885

“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.