SCHEMBL210799

SCHEMBL210799

COC(=O)c1ccc(CNc2cc(-c3ccc(OC)nc3)n[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAPT P10636 4/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
OXTR P30559 1/20 0.42
PIK3CA P42336 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
PTGES O14684 1/20 0.41
ALPL P05186 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAP2K4 P45985 2/20 0.40
TP53 P04637 1/20 0.40
VNN1 O95497 1/20 0.40

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
SCHEMBL210512 0.91 HDAC1 (0.49) HDAC1MKNK1MKNK2MAPTOXTR
SCHEMBL2945799 0.75 MKNK1 (0.71) MKNK1MKNK2CA1CA2OXTR
SCHEMBL212531 0.72 NEK2 (0.47) HDAC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL7229408 0.70 MKNK1 (0.52) MKNK1MKNK2SMN1; SMN2ALDH1A1
SCHEMBL65277 0.69 NNMT (0.68) MKNK1MKNK2MAPTCA1CA2
SCHEMBL210885 0.68 MKNK1 (0.48) MKNK1MKNK2CA1CA2OXTR
SCHEMBL15526488 0.67 MKNK1 (0.51) MKNK1MKNK2PIK3CAALDH1A1
SCHEMBL22792665 0.67 CA1 (0.50) HDAC1MAPTCA1CA2LMNA
SCHEMBL21001396 0.67 PRKAG1 (0.50) MKNK1MKNK2MAPTOXTRNPC1
SCHEMBL836395 0.67 MAPK1 (0.51) MAPTCA1CA2NPC1RAB9A

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 HDAC1 1/4885MKNK1 518/4885MKNK2 597/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885MKNK1 937/4885MKNK2 954/4885

“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.