SCHEMBL8074655

SCHEMBL8074655

Nc1ccccc1NC(=O)c1ccc(CNC(=O)/C(=C/c2ccncc2)c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.61
HDAC3 O15379 1/20 0.58
HDAC2 Q92769 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
LMNA P02545 1/20 0.53
KDM1A O60341 1/20 0.53
NAMPT P43490 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
SCHEMBL3056349 1.00 HDAC1 (0.61) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL3043794 0.91 HDAC1 (0.64) HDAC1HDAC3HDAC2NCOR2KDM1A
SCHEMBL8071673 0.91 HDAC1 (0.64) HDAC1HDAC3HDAC2NCOR2KDM1A
SCHEMBL8055828 0.90 HDAC1 (0.62) HDAC1HDAC3HDAC2
SCHEMBL3745956 0.90 HDAC1 (0.62) HDAC1HDAC3HDAC2
SCHEMBL2831105 0.90 HDAC1 (0.62) HDAC1HDAC3HDAC2
SCHEMBL3047741 0.87 HDAC1 (0.61) HDAC1HDAC3HDAC2NCOR2KDM1A
SCHEMBL8069204 0.87 HDAC1 (0.61) HDAC1HDAC3HDAC2NCOR2KDM1A
SCHEMBL3056716 0.86 LMNA (0.61) HDAC1HDAC3HDAC2LMNA
SCHEMBL8076326 0.86 LMNA (0.61) HDAC1HDAC3HDAC2LMNA

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 5 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 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
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 3/4885HDAC3 13/4885HDAC2 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.