SCHEMBL3009941

SCHEMBL3009941

COc1ccc(-c2oc3ccc(CC(=O)N4CCOCC4)cc3c2SC)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GFER P55789 1/20 0.46
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
BRCA1 P38398 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 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
SCHEMBL3010725 0.93 HTT (0.53) HTTKMT2AMEN1CYP2C19MAPK1
SCHEMBL3010665 0.93 HTT (0.51) HTTKMT2AMEN1MAPK1TP53
SCHEMBL3002062 0.92 HTT (0.50) HTTKMT2AMEN1MAPK1TP53
SCHEMBL2997779 0.89 HTT (0.48) HTTKMT2AMEN1MAPK1GFER
SCHEMBL2997579 0.89 GFER (0.53) HTTKMT2AMEN1NPSR1GFER
SCHEMBL3014065 0.86 ALDH1A1 (0.50) HTTPKMALDH1A1KDM4ELMNA
SCHEMBL3007512 0.86 ALDH1A1 (0.49) HTTKMT2AMEN1CYP2C19TP53
SCHEMBL3006035 0.85 CSNK2A2 (0.43) HTTKMT2AMEN1MAPK1TP53
SCHEMBL3009750 0.84 FKBP1A (0.47) HTTKMT2AMEN1MAPK1TP53
SCHEMBL3001825 0.84 MAPT (0.43) HTTKMT2AMEN1MAPK1TP53

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
EP-2069321-B1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF MEDIFRON DBT CO LTD (KR) 2016-04-13 EP claimed
US-8580848-B2 Benzofuran type derivatives, a composition comprising the same for treating or preventing cognitive dysfunction and the use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-11-12 US claimed
US-20120245165-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD (KR) 2012-09-27 US claimed
US-20100197685-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2010-08-05 US claimed
EP-2069321-B1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF MEDIFRON DBT CO LTD (KR) 2016-04-13 EP disclosed
US-8580848-B2 Benzofuran type derivatives, a composition comprising the same for treating or preventing cognitive dysfunction and the use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-11-12 US disclosed
US-8507553-B2 Benzofuran type derivatives, a composition comprising the same for treating or preventing cognitive dysfunction and the use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-08-13 US disclosed
US-8455542-B2 Benzofuran type derivatives, a composition comprising the same for treating or preventing cognitive dysfunction and the use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-06-04 US disclosed
US-20120259006-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD (KR) 2012-10-11 US disclosed
US-20120245225-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD (KR) 2012-09-27 US disclosed
US-20120245165-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD (KR) 2012-09-27 US disclosed
US-8263649-B2 Benzofuran type derivatives, a composition comprising the same for treating or preventing cognitive dysfunction and the use thereof MEDIFRON DBT CO., LTD. (KR) 2012-09-11 US disclosed
US-20100197685-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2010-08-05 US 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 (4 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-20100197685-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF APP, BACE1, PSEN1 HTT 795/4885KMT2A 2035/4885MEN1 4184/4885
US-20120259006-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF APP, BACE1, PSEN1 HTT 795/4885KMT2A 2035/4885MEN1 4184/4885
US-20120245165-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF APP, BACE1, PSEN1 HTT 795/4885KMT2A 2035/4885MEN1 4184/4885
US-20120245225-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF APP, BACE1, PSEN1 HTT 795/4885KMT2A 2035/4885MEN1 4184/4885

“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.