SCHEMBL5548010

SCHEMBL5548010

CNC(=O)NCC(C(=O)Nc1ccccc1)c1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.41
HDAC2 Q92769 6/20 0.36
HDAC3 O15379 5/20 0.36
NCOR2 Q9Y618 2/20 0.36
GCGR P47871 5/20 0.36
ADCY6 O43306 3/20 0.36
ADCY3 O60266 3/20 0.36
ADCY9 O60503 3/20 0.36
ADCY5 O95622 3/20 0.36
ADCY8 P40145 3/20 0.36
ADCY7 P51828 3/20 0.36
ADCY2 Q08462 3/20 0.36
ADCY1 Q08828 3/20 0.36
ADCY4 Q8NFM4 3/20 0.36
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL5544366 0.93 HDAC1 (0.45) HDAC1HDAC2HDAC3NCOR2GCGR
SCHEMBL2686960 0.91 HDAC1 (0.41) HDAC1HDAC2HDAC3F2F10
SCHEMBL2685976 0.90 HDAC1 (0.44) HDAC1HDAC2HDAC3NCOR2GCGR
SCHEMBL2685761 0.89 HDAC1 (0.40) HDAC1HDAC2HDAC3F2F10
SCHEMBL5548615 0.87 HDAC1 (0.42) HDAC1HDAC2HDAC3NCOR2GCGR
SCHEMBL2685888 0.85 HDAC1 (0.58) HDAC1HDAC2HDAC3NCOR2
SCHEMBL2686835 0.82 HDAC1 (0.50) HDAC1HDAC2HDAC3NCOR2GCGR
SCHEMBL13913374 0.79 HDAC1 (0.42) HDAC1HDAC2HDAC3P2RY14
SCHEMBL2685023 0.79 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4781161 0.78 HDAC1 (0.51) HDAC1HDAC2HDAC3NCOR2GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 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 (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-20090069250-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC6 HDAC1 1/4885HDAC2 4/4885HDAC3 5/4885

“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.