SCHEMBL4517375

SCHEMBL4517375

Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C(O)C(=O)N2CCNCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.67
KCNH2 Q12809 6/20 0.64
HDAC3 O15379 11/20 0.61
HDAC2 Q92769 10/20 0.61
NCOR2 Q9Y618 1/20 0.61
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57

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
SCHEMBL4506680 0.92 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL4305941 0.90 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC2NCOR2
SCHEMBL4502568 0.90 HDAC1 (0.69) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL4526070 0.86 HDAC1 (0.68) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL4578698 0.84 KCNH2 (0.75) HDAC1KCNH2HDAC3HDAC2NCOR2
SCHEMBL4512064 0.83 HDAC1 (0.71) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL4521581 0.83 HDAC1 (0.71) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL4580441 0.81 HDAC1 (0.75) HDAC1KCNH2HDAC3HDAC2NCOR2
SCHEMBL4318134 0.81 HDAC1 (0.65) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL4520366 0.81 HDAC1 (0.69) HDAC1KCNH2HDAC3HDAC2HDAC4

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
US-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 US claimed
EP-1973405-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-01 EP claimed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO claimed
US-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-1973405-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 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-20090062297-A1 Hydroxyalkylarylamide Derivatives AADAC, HDAC5, HDAC3 HDAC1 6/4885KCNH2 3287/4885HDAC3 3/4885

“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.