SCHEMBL3718261

SCHEMBL3718261

CCN(C(=O)C=Cc1ccc(C(=O)Nc2ccccc2N)cc1)c1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.60
HDAC3 O15379 8/20 0.48
HDAC2 Q92769 8/20 0.48
HDAC4 P56524 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
KCNH2 Q12809 3/20 0.43
NCOR2 Q9Y618 1/20 0.43
NCOR1 O75376 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL4259725 0.77 TRPM8 (0.53) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4269534 0.76 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3718256 0.75 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3718252 0.75 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4260742 0.73 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL13949628 0.72 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1064703 0.71 HDAC1 (0.56) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1064701 0.71 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1064700 0.71 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3557636 0.70 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC4HDAC7

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-20100292320-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2010-11-18 US disclosed
EP-2220066-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS Gilead Colorado, Inc. (US) 2010-08-25 EP disclosed
WO-2009079391-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2009-06-25 WO 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-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 (3 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-20100292320-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC7, HDAC5 HDAC1 1/4885HDAC3 11/4885HDAC2 4/4885
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.