SCHEMBL4258366

SCHEMBL4258366

Nc1ccccc1NC(=O)c1ccc(CCCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.75
HDAC3 O15379 7/20 0.75
HDAC2 Q92769 7/20 0.75
HDAC8 Q9BY41 3/20 0.75
HDAC4 P56524 2/20 0.75
HDAC7 Q8WUI4 2/20 0.75
HDAC10 Q969S8 2/20 0.75
HDAC11 Q96DB2 2/20 0.75
HDAC6 Q9UBN7 2/20 0.75
HDAC9 Q9UKV0 2/20 0.75
HDAC5 Q9UQL6 2/20 0.75
MAPK1 P28482 1/20 0.69
NCOR2 Q9Y618 3/20 0.67
PTGS1 P23219 1/20 0.58

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
SCHEMBL19609252 0.90 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL19609254 0.89 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3813600 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL8079556 0.86 PLK1 (0.71) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL22798202 0.86 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL27608822 0.86 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2135459 0.86 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL674399 0.86 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL14473033 0.85 HDAC1 (0.68) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL28155970 0.85 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC8HDAC4

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
US-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-01-22 US disclosed
US-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-01-22 US disclosed
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-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 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 1/4885HDAC3 5/4885HDAC2 6/4885
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 HDAC1 1/4885HDAC3 6/4885HDAC2 8/4885

“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.