SCHEMBL212261

SCHEMBL212261

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ITK Q08881 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL10272799 0.90 KDM4E (0.41) MAP2K1KDM4EMEN1KMT2AHPGD
SCHEMBL212292 0.88 MAP2K1 (0.40) MAP2K1KDM4EMEN1KMT2AHPGD
SCHEMBL212291 0.86 HDAC1 (0.48) MAP2K1MEN1KMT2AALDH1A1
SCHEMBL2733478 0.84 ATM (0.39) KDM4EMEN1KMT2AHPGDATM
SCHEMBL14425112 0.83 KDM4E (0.50) MAP2K1KDM4EMEN1KMT2AHPGD
SCHEMBL1064297 0.77 MAPT (0.50) KDM4EMEN1KMT2AHPGDL3MBTL1
SCHEMBL2759502 0.77 KDM4E (0.47) MAP2K1KDM4EMEN1KMT2AHPGD
SCHEMBL14424420 0.76 SRD5A2 (0.41) KDM4EMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17202971 0.72 ATM (0.56) KDM4EATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL2733655 0.72 HDAC1 (0.48) ALDH1A1

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 9 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-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
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
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 2027/4885KDM4E 258/4885MEN1 2386/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 MAP2K1 2120/4885KDM4E 337/4885MEN1 2075/4885

“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.