SCHEMBL4261389

SCHEMBL4261389

CC(C)(C)OC(=O)N(CC=Cc1ccc(C(=O)O)cc1)Cc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
NCOR2 Q9Y618 1/20 0.40
TBXAS1 P24557 3/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
RIPK1 Q13546 1/20 0.39
HTR5A P47898 2/20 0.39
NLRP3 Q96P20 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL13949690 0.83 HDAC1 (0.56) HDAC3HDAC1HDAC2NCOR2HDAC4
SCHEMBL2770342 0.79 PKM (0.47) KMT2AALDH1A1HDAC3HDAC1HDAC2
SCHEMBL27875045 0.77 KMT2A (0.48) KMT2AALDH1A1HDAC3HDAC1HDAC2
SCHEMBL7324763 0.75 SSTR4 (0.52) KMT2AMEN1ALDH1A1HDAC3HDAC1
SCHEMBL14004878 0.73 HDAC3 (0.66) KMT2AMEN1ALDH1A1HDAC3HDAC1
SCHEMBL4260280 0.73 HDAC1 (0.47) KMT2AMEN1ALDH1A1HDAC3HDAC1
SCHEMBL17607355 0.72 TBXAS1 (0.43) HDAC3HDAC1HDAC2TBXAS1HDAC4
SCHEMBL5890773 0.72 RIPK1 (0.63) ALDH1A1RIPK1NAMPTTRPM8HTR2C
SCHEMBL7332333 0.71 RIPK1 (0.51) KMT2AALDH1A1RIPK1NAMPTTRPM8
SCHEMBL5784249 0.70 KDM4E (0.46) KMT2AALDH1A1RIPK1NAMPTGRM2

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 5 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
EP-1551795-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-07-13 EP disclosed
WO-2004035525-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2004-04-29 WO 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 KMT2A 76/4885MEN1 2765/4885ALDH1A1 828/4885
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 KMT2A 140/4885MEN1 3679/4885ALDH1A1 586/4885

“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.