SCHEMBL4260280

SCHEMBL4260280

NN(C(=O)c1ccc(C=CCN(Cc2cccnc2)C(=O)O)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TBXAS1 P24557 2/20 0.41
ALDH1A1 P00352 4/20 0.40
GRM2 Q14416 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL29224860 0.86 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4260272 0.80 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4261389 0.73 KMT2A (0.45) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28019723 0.70 HTT (0.54) HDAC1HDAC6GAATSHRKMT2A
SCHEMBL4483064 0.70 HTT (0.61) HDAC1HDAC3HDAC2HDAC6GAA
SCHEMBL3775280 0.70 HDAC1 (0.56) HDAC1GAATSHRKMT2AMEN1
SCHEMBL1399532 0.70 GAA (0.56) GAATSHRKMT2AMEN1ALDH1A1
SCHEMBL16606322 0.70 CYP11B1 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL148310 0.68 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL22289326 0.68 GAA (0.73) GAATSHRKMT2AALDH1A1GRM2

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 1/4885HDAC3 5/4885HDAC4 11/4885
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 HDAC1 1/4885HDAC3 6/4885HDAC4 10/4885

“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.