SCHEMBL2687134

SCHEMBL2687134

C[C@H]1CN(C(C(=O)Nc2ccc(Cl)cc2)c2ccc(C(=O)Nc3ccccc3N)cc2)CCN1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.51
HDAC3 O15379 5/20 0.49
HDAC2 Q92769 5/20 0.49
ADRB2 P07550 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
NCOR2 Q9Y618 4/20 0.44

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
SCHEMBL2685019 0.84 HDAC1 (0.53) HDAC1HDAC3HDAC2ADRB2NPSR1
SCHEMBL2686423 0.82 HDAC1 (0.52) HDAC1HDAC3HDAC2ADRB2NPSR1
SCHEMBL2685756 0.76 HDAC1 (0.50) HDAC1HDAC3HDAC2ALDH1A1NCOR2
SCHEMBL1705532 0.75 ALDH1A1 (0.64) HDAC1HDAC3HDAC2ADRB2ALDH1A1
SCHEMBL2684552 0.74 HDAC1 (0.56) HDAC1HDAC3HDAC2ADRB2NPSR1
SCHEMBL2687023 0.72 HDAC1 (0.63) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2686406 0.72 ABCB1 (0.61) HDAC1HDAC3HDAC2NCOR2
SCHEMBL1119739 0.72 HDAC1 (0.54) HDAC1HDAC3HDAC2ADRB2NPSR1
SCHEMBL1119740 0.72 HDAC1 (0.54) HDAC1HDAC3HDAC2ADRB2NPSR1
SCHEMBL1119738 0.72 HDAC1 (0.54) HDAC1HDAC3HDAC2ADRB2NPSR1

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
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP claimed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US claimed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US claimed
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
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
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
EP-1991226-A2 INHIBITORS OF HISTONE DEACETYLASE Merck & Co., Inc. (US) 2008-11-19 EP 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 1/4885HDAC3 5/4885HDAC2 4/4885

“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.