SCHEMBL1689141

SCHEMBL1689141

Nc1ccccc1NC(=O)CCCCCC(C(=O)Nc1ccc2ncccc2c1)C(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.74
HDAC4 P56524 7/20 0.71
MEF2D Q14814 3/20 0.71
HDAC3 O15379 9/20 0.60
HDAC2 Q92769 6/20 0.60
HDAC6 Q9UBN7 5/20 0.60
HDAC7 Q8WUI4 4/20 0.60
HDAC10 Q969S8 4/20 0.60
HDAC11 Q96DB2 4/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC9 Q9UKV0 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
EP300 Q09472 1/20 0.51
NCOR2 Q9Y618 1/20 0.51

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
SCHEMBL8361569 0.85 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC3HDAC2
SCHEMBL21232162 0.83 HDAC4 (1.00) HDAC1HDAC4MEF2DEP300
SCHEMBL1689407 0.82 HDAC4 (0.72) HDAC1HDAC4MEF2DHDAC3HDAC2
SCHEMBL5322812 0.78 HDAC6 (0.72) HDAC1HDAC4MEF2DHDAC3HDAC2
SCHEMBL30444774 0.75 HDAC1 (0.71) HDAC1HDAC4HDAC3HDAC2HDAC6
SCHEMBL12515064 0.74 HDAC1 (0.75) HDAC1HDAC4HDAC3HDAC2HDAC6
SCHEMBL29728194 0.73 HDAC1 (0.69) HDAC1HDAC4HDAC3HDAC2HDAC6
SCHEMBL13338207 0.73 NPC1 (0.62) HDAC1HDAC4HDAC3HDAC2HDAC6
SCHEMBL1613715 0.73 HDAC1 (0.68) HDAC1HDAC4HDAC3HDAC2HDAC6
SCHEMBL30858825 0.73 HDAC6 (0.68) HDAC1HDAC4HDAC3HDAC2HDAC6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896395-A2 MODIFIED MALONATE DERIVATIVES Merck & Co., Inc. (US) 2008-03-12 EP claimed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 WO claimed
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 EP disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
EP-1896395-A2 MODIFIED MALONATE DERIVATIVES Merck & Co., Inc. (US) 2008-03-12 EP disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 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-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 HDAC1 6/4885HDAC4 32/4885MEF2D 2598/4885

“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.