SCHEMBL652288

SCHEMBL652288

Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(C(=O)N2CCC3(CC2)CNCc2ccccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.63
HDAC3 O15379 7/20 0.63
KCNH2 Q12809 6/20 0.63
HDAC2 Q92769 6/20 0.51
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46

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
SCHEMBL653491 1.00 HDAC1 (0.63) HDAC1HDAC3KCNH2HDAC2CCNC
SCHEMBL651466 0.91 HDAC1 (0.54) HDAC1HDAC3KCNH2HDAC2
SCHEMBL652289 0.91 HDAC1 (0.54) HDAC1HDAC3KCNH2HDAC2
SCHEMBL653546 0.84 HDAC1 (0.80) HDAC1HDAC3KCNH2HDAC2
SCHEMBL653547 0.84 HDAC1 (0.80) HDAC1HDAC3KCNH2HDAC2
SCHEMBL1640374 0.84 HDAC1 (0.72) HDAC1HDAC3KCNH2HDAC2CCNC
SCHEMBL1639339 0.78 HDAC1 (0.68) HDAC1HDAC3KCNH2HDAC2CCNC
SCHEMBL1640200 0.78 HDAC1 (1.00) HDAC1HDAC3KCNH2HDAC2CCNC
SCHEMBL1640637 0.77 HDAC1 (0.69) HDAC1HDAC3KCNH2HDAC2
SCHEMBL651467 0.76 HDAC1 (0.51) 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.