SCHEMBL212292

SCHEMBL212292

Cc1c(Cc2ccc(C(=O)N(N)c3ccccc3)cc2)sc(NC(=O)OCCN2CCOCC2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.40
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ITK Q08881 1/20 0.35
BCHE P06276 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL212261 0.88 MAP2K1 (0.42) MAP2K1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL209936 0.84 MAP2K1 (0.41) MAP2K1ALDH1A1MEN1KMT2ABCHE
SCHEMBL212291 0.84 HDAC1 (0.48) MAP2K1ALDH1A1MEN1KMT2AGAA
SCHEMBL10272799 0.83 KDM4E (0.41) MAP2K1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14425112 0.77 KDM4E (0.50) MAP2K1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2733478 0.73 ATM (0.39) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL2759502 0.71 KDM4E (0.47) MAP2K1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2733655 0.71 HDAC1 (0.48) ALDH1A1GAA
SCHEMBL5804266 0.68 MAPT (0.50) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL209935 0.68 HDAC1 (0.53) MAP2K1ALDH1A1GAA

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 MAP2K1 2027/4885ALDH1A1 680/4885KDM4E 258/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 MAP2K1 2120/4885ALDH1A1 758/4885KDM4E 337/4885

“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.