SCHEMBL2997330

SCHEMBL2997330

COc1cc(-c2oc3ccc(CC(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3c2SC)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 3/20 0.45
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
CYP2C19 P33261 1/20 0.42
CSNK2A2 P19784 4/20 0.42
CSNK2B P67870 4/20 0.42
CSNK2A1 P68400 4/20 0.42
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL3007512 0.93 ALDH1A1 (0.49) SMN1; SMN2TSHRALDH1A1HPGDCYP2C19
SCHEMBL3006035 0.87 CSNK2A2 (0.43) SMN1; SMN2TSHRALDH1A1HPGDCSNK2A2
SCHEMBL3001825 0.86 MAPT (0.43) SMN1; SMN2TSHRALDH1A1HPGDCSNK2A2
SCHEMBL3017931 0.86 CSNK2A2 (0.43) SMN1; SMN2TSHRALDH1A1HPGDCYP2C19
SCHEMBL3010725 0.86 HTT (0.53) SMN1; SMN2ALDH1A1HPGDCYP2C19CSNK2A2
SCHEMBL3001735 0.83 ALDH1A1 (0.55) SMN1; SMN2TSHRALDH1A1HPGDCYP2C19
SCHEMBL3013804 0.82 ALDH1A1 (0.50) TSHRALDH1A1HPGDCYP2C19KMT2A
SCHEMBL3011145 0.82 ACHE (0.49) SMN1; SMN2ALDH1A1KMT2AKDM4ELMNA
SCHEMBL3001522 0.82 CSNK2A2 (0.48) SMN1; SMN2TSHRALDH1A1HPGDCYP2C19
SCHEMBL3002368 0.82 CSNK2A2 (0.48) SMN1; SMN2TSHRALDH1A1HPGDCYP2C19

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 11 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-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 SMN1; SMN2 551/4885TSHR 4872/4885ALDH1A1 770/4885
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 SMN1; SMN2 551/4885TSHR 4872/4885ALDH1A1 770/4885
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 SMN1; SMN2 551/4885TSHR 4872/4885ALDH1A1 770/4885
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 SMN1; SMN2 551/4885TSHR 4872/4885ALDH1A1 770/4885

“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.