SCHEMBL654663

SCHEMBL654663

Nc1ccccc1NC(=O)c1ccc(N2CCC3(CC2)CNc2ccccc23)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 1.00
KCNH2 Q12809 10/20 1.00
HDAC3 O15379 2/20 0.61
HDAC2 Q92769 4/20 0.56

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
SCHEMBL654662 1.00 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC2
SCHEMBL651141 0.85 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC2
SCHEMBL651140 0.85 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC2
SCHEMBL652679 0.85 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC2
SCHEMBL653795 0.85 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC2
SCHEMBL1639098 0.82 HDAC1 (0.87) HDAC1KCNH2HDAC3HDAC2
SCHEMBL5225255 0.81 KCNH2 (0.76) HDAC1KCNH2HDAC3HDAC2
SCHEMBL1640681 0.80 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC2
SCHEMBL1640302 0.80 HDAC1 (0.89) HDAC1KCNH2HDAC3HDAC2
SCHEMBL8161162 0.80 HDAC1 (0.70) HDAC1KCNH2HDAC3HDAC2

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 2306/4885HDAC3 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.