SCHEMBL652729

SCHEMBL652729

Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2Cc3ccccc3C3(CCNCC3)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.65
HDAC3 O15379 8/20 0.65
KCNH2 Q12809 5/20 0.55
HDAC2 Q92769 2/20 0.49

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
SCHEMBL1639095 0.82 HDAC1 (0.90) HDAC1HDAC3KCNH2HDAC2
SCHEMBL1639718 0.79 HDAC1 (1.00) HDAC1HDAC3KCNH2HDAC2
SCHEMBL1639099 0.76 HDAC1 (0.81) HDAC1HDAC3KCNH2HDAC2
SCHEMBL1639796 0.75 HDAC1 (1.00) HDAC1HDAC3KCNH2HDAC2
SCHEMBL651467 0.74 HDAC1 (0.51) HDAC1HDAC3KCNH2HDAC2
SCHEMBL4579730 0.74 HDAC1 (0.79) HDAC1HDAC3HDAC2
SCHEMBL2206238 0.73 HDAC1 (0.64) HDAC1HDAC3HDAC2
SCHEMBL3643330 0.72 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL653491 0.72 HDAC1 (0.63) HDAC1HDAC3KCNH2HDAC2
SCHEMBL652288 0.72 HDAC1 (0.63) HDAC1HDAC3KCNH2HDAC2

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-2023924-B1 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2016-08-03 EP claimed
US-8119652-B2 Aryl-fused spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US claimed
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-09-24 US claimed
EP-2023924-B1 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2016-08-03 EP disclosed
EP-2023924-B1 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2016-08-03 EP disclosed
US-8119652-B2 Aryl-fused spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8119652-B2 Aryl-fused spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8119652-B2 Aryl-fused spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
WO-2007136605-A2 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 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-20090239849-A1 Aryl-Fused Spirocyclic Compounds HDAC1, BRDT, HDAC5 HDAC1 1/4885HDAC3 5/4885KCNH2 2306/4885

“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.