SCHEMBL3047741

SCHEMBL3047741

Nc1ccccc1NC(=O)c1ccc(CNC(=O)C(=Cc2ccc(F)c(F)c2)c2ccc(F)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.61
KDM1A O60341 1/20 0.53
HDAC2 Q92769 2/20 0.52
HDAC3 O15379 1/20 0.52
NCOR2 Q9Y618 1/20 0.52

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
SCHEMBL8069204 1.00 HDAC1 (0.61) HDAC1KDM1AHDAC2HDAC3NCOR2
SCHEMBL8071673 0.91 HDAC1 (0.64) HDAC1KDM1AHDAC2HDAC3NCOR2
SCHEMBL3043794 0.91 HDAC1 (0.64) HDAC1KDM1AHDAC2HDAC3NCOR2
SCHEMBL8055828 0.90 HDAC1 (0.62) HDAC1HDAC2HDAC3
SCHEMBL2831105 0.90 HDAC1 (0.62) HDAC1HDAC2HDAC3
SCHEMBL3745956 0.90 HDAC1 (0.62) HDAC1HDAC2HDAC3
SCHEMBL13136788 0.90 HDAC1 (0.58) HDAC1HDAC2HDAC3
SCHEMBL3040473 0.90 HDAC1 (0.58) HDAC1HDAC2HDAC3
SCHEMBL8073413 0.89 HDAC1 (0.55) HDAC1HDAC2
SCHEMBL3058834 0.89 HDAC1 (0.55) HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476255-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-07-02 US claimed
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-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

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 3/4885KDM1A 108/4885HDAC2 2/4885

“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.