SCHEMBL210574

SCHEMBL210574

CN(C)CCN1C(=O)c2ccc(NCc3ccc(C(=O)O)cc3)cc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
TERT O14746 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL6918898 0.84 ALDH1A1 (0.68) ENPP2ALDH1A1POLBMEN1KMT2A
SCHEMBL209924 0.82 HDAC1 (0.57)
SCHEMBL22032610 0.72 KDM4E (0.49) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL4418236 0.70 CA1 (0.59) ALDH1A1POLBKMT2ACA1CA2
SCHEMBL18669084 0.70 TERT (0.51) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
Acetic Acid SCHEMBL25307591 0.70 CASP1 (0.60) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL16550429 0.69 FFAR1 (0.67) ALDH1A1POLBMEN1KMT2ACA1
SCHEMBL11414793 0.69 FFAR1 (0.67) ALDH1A1POLBMEN1KMT2ACA1
SCHEMBL28881341 0.69 CRBN (0.81) ALDH1A1TSHR
SCHEMBL30942651 0.69 POLB (0.75) ENPP2ALDH1A1POLBMEN1KMT2A

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 13 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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
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-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
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 ENPP2 1323/4885ALDH1A1 680/4885POLB 450/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 ENPP2 707/4885ALDH1A1 758/4885POLB 343/4885

“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.