SCHEMBL653547

SCHEMBL653547

Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNCc2ccccc23)nc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.80
KCNH2 Q12809 12/20 0.80
HDAC2 Q92769 11/20 0.70
HDAC3 O15379 5/20 0.66

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
SCHEMBL653546 1.00 HDAC1 (0.80) HDAC1KCNH2HDAC2HDAC3
SCHEMBL651141 0.89 HDAC1 (1.00) HDAC1KCNH2HDAC2HDAC3
SCHEMBL651140 0.89 HDAC1 (1.00) HDAC1KCNH2HDAC2HDAC3
SCHEMBL1640769 0.85 HDAC1 (0.88) HDAC1KCNH2HDAC2HDAC3
SCHEMBL653491 0.84 HDAC1 (0.63) HDAC1KCNH2HDAC2HDAC3
SCHEMBL652288 0.84 HDAC1 (0.63) HDAC1KCNH2HDAC2HDAC3
SCHEMBL1639411 0.83 HDAC1 (1.00) HDAC1KCNH2HDAC2HDAC3
SCHEMBL651466 0.82 HDAC1 (0.54) HDAC1KCNH2HDAC2HDAC3
SCHEMBL652289 0.82 HDAC1 (0.54) HDAC1KCNH2HDAC2HDAC3
SCHEMBL20181480 0.82 KCNH2 (1.00) HDAC1KCNH2HDAC2HDAC3

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 6 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
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

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 1/4885KCNH2 2306/4885HDAC2 6/4885

“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.