SCHEMBL4255532

SCHEMBL4255532

Nc1ccccc1NC(=O)c1ccc(C=CC(=O)NCc2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 1.00
NAMPT P43490 6/20 0.68
HDAC3 O15379 6/20 0.64
HDAC2 Q92769 6/20 0.64
NCOR2 Q9Y618 4/20 0.64
HDAC4 P56524 3/20 0.64
HDAC7 Q8WUI4 3/20 0.64
HDAC10 Q969S8 3/20 0.64
HDAC11 Q96DB2 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC9 Q9UKV0 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
NCOR1 O75376 2/20 0.64
KCNH2 Q12809 1/20 0.64
POLB P06746 1/20 0.64
KDM1A O60341 1/20 0.62
CYP3A4 P08684 1/20 0.62
F3 P13726 1/20 0.62
THRB P10828 1/20 0.59

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
SCHEMBL4255531 1.00 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL4269528 0.90 HDAC1 (0.82) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL4269526 0.90 HDAC1 (0.82) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL16892137 0.90 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL4254167 0.84 HDAC1 (0.72) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL13949683 0.84 HDAC1 (0.72) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL4258773 0.84 HDAC1 (0.72) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL4258770 0.84 HDAC1 (0.72) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL13949674 0.83 HDAC1 (0.71) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL2412421 0.83 HDAC1 (0.84) HDAC1NAMPTHDAC3HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-01-22 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2006-01-26 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 (2 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-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC6 HDAC1 1/4885NAMPT 214/4885HDAC3 5/4885
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 HDAC1 1/4885NAMPT 351/4885HDAC3 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.