SCHEMBL2997779

SCHEMBL2997779

COc1ccc(-c2oc3ccc(CC(=O)N4CCC(C)CC4)cc3c2SC)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
ALDH1A1 P00352 8/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
GFER P55789 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
APOBEC3A P31941 1/20 0.39

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
SCHEMBL3010665 0.91 HTT (0.51) HTTALDH1A1MEN1KMT2AATM
SCHEMBL3002062 0.90 HTT (0.50) HTTALDH1A1MEN1KMT2AATM
SCHEMBL3009941 0.89 HTT (0.62) HTTALDH1A1MEN1KMT2AATM
SCHEMBL3007512 0.88 ALDH1A1 (0.49) HTTALDH1A1MEN1KMT2AATM
SCHEMBL2997579 0.85 GFER (0.53) HTTALDH1A1MEN1KMT2AATM
SCHEMBL3014065 0.85 ALDH1A1 (0.50) HTTALDH1A1LMNAKDM4EGAA
SCHEMBL3006035 0.83 CSNK2A2 (0.43) HTTALDH1A1MEN1KMT2AGFER
SCHEMBL3017931 0.82 CSNK2A2 (0.43) HTTALDH1A1MEN1KMT2AATM
SCHEMBL3010725 0.82 HTT (0.53) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL3001825 0.82 MAPT (0.43) HTTALDH1A1MEN1KMT2AGFER

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-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-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-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 795/4885ALDH1A1 770/4885MEN1 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 795/4885ALDH1A1 770/4885MEN1 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 795/4885ALDH1A1 770/4885MEN1 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 795/4885ALDH1A1 770/4885MEN1 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.