SCHEMBL3718256

SCHEMBL3718256

Nc1ccccc1NC(=O)c1ccc(C=CC(=O)NCCc2c[nH]c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 1.00
PTGS2 P35354 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HDAC3 O15379 4/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC6 Q9UBN7 3/20 0.55
GSK3B P49841 1/20 0.54
MAOB P27338 1/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
KCNH2 Q12809 1/20 0.54
SIRT2 Q8IXJ6 3/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL3718252 1.00 HDAC1 (1.00) HDAC1PTGS2MEN1KMT2AHDAC3
SCHEMBL8246681 0.82 HDAC3 (0.71) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL27488694 0.82 SIRT2 (0.74) HDAC1PTGS2MEN1KMT2AHDAC3
SCHEMBL27488695 0.82 SIRT2 (0.74) HDAC1PTGS2MEN1KMT2AHDAC3
SCHEMBL2108289 0.81 HDAC1 (0.68) HDAC1PTGS2MEN1KMT2AHDAC3
SCHEMBL30753637 0.81 MAOB (0.79) HDAC1PTGS2MEN1KMT2AHDAC3
SCHEMBL798226 0.81 MAOB (0.79) HDAC1PTGS2MEN1KMT2AHDAC3
SCHEMBL798186 0.81 MAOB (0.79) HDAC1PTGS2MEN1KMT2AHDAC3
SCHEMBL3560137 0.80 HDAC1 (0.66) HDAC1PTGS2MEN1KMT2AHDAC3
SCHEMBL4427822 0.77 PTGS2 (0.80) HDAC1PTGS2MEN1KMT2AHDAC3

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 1/4885PTGS2 2686/4885MEN1 2765/4885
US-20100292320-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC7, HDAC5 HDAC1 1/4885PTGS2 2367/4885MEN1 4380/4885
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 HDAC1 1/4885PTGS2 2183/4885MEN1 3679/4885

“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.