SCHEMBL211416

SCHEMBL211416

CN(C)C(=O)c1ccc(C(=O)O)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 6/20 0.66
P4HA1 P13674 2/20 0.66
MIF P14174 1/20 0.66
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HCAR3 P49019 5/20 0.49
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48

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
SCHEMBL209464 0.85 P4HTM (0.46) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL22182995 0.84 NNMT (0.52) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL10653749 0.82 P4HTM (0.56) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL6592083 0.81 MAPK1 (0.72) P4HTMP4HA1MIFKDM4EMAPK1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL29363410 0.80 P4HTM (1.00) P4HTMP4HA1MIFKDM4EMAPK1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL70231 0.80 P4HTM (1.00) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL840870 0.79 P4HTM (0.53) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL3179541 0.79 P4HTM (0.73) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL840867 0.78 HCAR3 (0.59) P4HTMP4HA1MIFKDM4EMAPK1
SCHEMBL840976 0.78 P4HTM (0.51) P4HTMP4HA1MIFKDM4EMAPK1

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 17 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
EP-1156803-A4 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-03-17 EP disclosed
EP-1156803-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-28 EP disclosed
US-6297233-B1 Lactam inhibitors of FXa and method BRISTOL-MYERS SQUIBB COMPANY 2001-10-02 US disclosed
WO-2000047207-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-17 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 P4HTM 3657/4885P4HA1 969/4885MIF 1464/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 P4HTM 3597/4885P4HA1 813/4885MIF 865/4885

“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.