SCHEMBL1320113

SCHEMBL1320113

CC(C)c1nc(Nc2cccc(O)c2)cc(Nc2cccc(O)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.57
MAPT P10636 3/20 0.54
CYP3A4 P08684 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 2/20 0.54
USP2 O75604 1/20 0.54
APP P05067 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
SNCA P37840 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ABCG2 Q9UNQ0 2/20 0.52

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
SCHEMBL1318150 0.81 HDAC6 (0.62) HDAC6MAPTCYP3A4MEN1KMT2A
SCHEMBL657020 0.80 SYK (0.72) HDAC6MAPTCYP3A4MEN1KMT2A
SCHEMBL1318790 0.78 HDAC6 (0.62) HDAC6MAPTCYP3A4MEN1KMT2A
SCHEMBL1318770 0.77 HDAC6 (0.57) HDAC6MAPTCYP3A4MEN1KMT2A
SCHEMBL1319075 0.77 HDAC6 (0.57) HDAC6MAPTCYP3A4MEN1KMT2A
SCHEMBL1319963 0.75 HDAC6 (0.54) HDAC6MAPTCYP3A4MEN1KMT2A
SCHEMBL1319475 0.74 TP53 (0.71) HDAC6MAPTCYP3A4MEN1KMT2A
SCHEMBL1319584 0.74 MEN1 (0.54) HDAC6MAPTCYP3A4MEN1KMT2A
SCHEMBL1317961 0.73 HDAC6 (1.00) HDAC6MAPTCYP3A4MEN1KMT2A
SCHEMBL1319316 0.73 ABCG2 (0.66) HDAC6MAPTMAPK1ABCG2SYK

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286809-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LTD. (GB) 2009-11-19 US claimed
EP-1473289-B1 PREVENTIVES OR REMEDIES FOR ALZHEIMER'S DISEASE OR AMYLOID PROTEIN FIBROSIS INHIBITORS CONTAINING NITROGEN-CONTAINING HETEROARYL COMPOUNDS BTG INT LTD (GB) 2009-08-05 EP claimed
US-20080182846-A1 Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LIMITED (GB) 2008-07-31 US claimed
US-20050054732-A1 Preventives or remidies for alzheimer's disease or amyloid protein fibrosis inhibitors containing nitrogen-containing heteroaryl compounds BTG INTERNATIONAL LTD. (GB) 2005-03-10 US claimed
EP-1473289-A1 PREVENTIVES OR REMEDIES FOR ALZHEIMER'S DISEASE OR AMYLOID PROTEIN FIBROSIS INHIBITORS CONTAINING NITROGEN-CONTAINING HETEROARYL COMPOUNDS Sankyo Company, Limited (JP) 2004-11-03 EP claimed
US-20110275640-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LTD. (GB) 2011-11-10 US disclosed
US-20110275641-A1 Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LTD. (GB) 2011-11-10 US disclosed
US-8003645-B2 type II diabetes; 6-Ethyl-N,N'-bis(3-hydroxyphenyl)-1,3,5-triazine-2,4-diamine; suppress the fall in MTT reduction capacity by beta -amyloid protein; inhibit impairment of long-term potentiation of hippocampal nerve cells, pyrimidine or 1,3,5 triazine derivatives BTG INTERNATIONAL LTD. (GB) 2011-08-23 US disclosed
US-20090286809-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LTD. (GB) 2009-11-19 US disclosed
US-20090286794-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LTD. (GB) 2009-11-19 US disclosed
US-7589105-B2 For example, N,N'-bis(3-hydroxyphenyl)pyrimidine-4,6-diamine, 2-methyl-N,N'-bis(3-hydroxyphenyl)pyrimidine-4,6-diamine BTG INTERNATIONAL LIMITED (GB) 2009-09-15 US disclosed
EP-1473289-B1 PREVENTIVES OR REMEDIES FOR ALZHEIMER'S DISEASE OR AMYLOID PROTEIN FIBROSIS INHIBITORS CONTAINING NITROGEN-CONTAINING HETEROARYL COMPOUNDS BTG INT LTD (GB) 2009-08-05 EP disclosed
US-20080182846-A1 Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LIMITED (GB) 2008-07-31 US disclosed
US-20050054732-A1 Preventives or remidies for alzheimer's disease or amyloid protein fibrosis inhibitors containing nitrogen-containing heteroaryl compounds BTG INTERNATIONAL LTD. (GB) 2005-03-10 US disclosed
EP-1473289-A1 PREVENTIVES OR REMEDIES FOR ALZHEIMER'S DISEASE OR AMYLOID PROTEIN FIBROSIS INHIBITORS CONTAINING NITROGEN-CONTAINING HETEROARYL COMPOUNDS Sankyo Company, Limited (JP) 2004-11-03 EP 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 (6 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-20050054732-A1 Preventives or remidies for alzheimer's disease or amyloid protein fibrosis inhibitors containing nitrogen-containing heteroaryl compounds NAT1, APP, BACE1 HDAC6 666/4885MAPT 115/4885CYP3A4 1802/4885
US-20110275641-A1 Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound APP, BACE1, PSEN1 HDAC6 664/4885MAPT 13/4885CYP3A4 3128/4885
US-20090286794-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound APP, BACE1, PSEN1 HDAC6 664/4885MAPT 13/4885CYP3A4 3128/4885
US-20090286809-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound APP, BACE1, PSEN1 HDAC6 664/4885MAPT 13/4885CYP3A4 3128/4885
US-20080182846-A1 Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound APP, BACE1, PSEN1 HDAC6 664/4885MAPT 13/4885CYP3A4 3128/4885
US-20110275640-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound APP, BACE1, PSEN1 HDAC6 664/4885MAPT 13/4885CYP3A4 3128/4885

“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.