SCHEMBL829324

SCHEMBL829324

COC(=O)c1cc2c(-c3ccc(OC)cc3)cccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.61
SLC9A1 P19634 6/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
ATM Q13315 1/20 0.54
RPS6KB1 P23443 1/20 0.50
CSNK1D P48730 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
DYRK1A Q13627 1/20 0.50
NTRK2 Q16620 1/20 0.50
AURKB Q96GD4 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
MAPK1 P28482 2/20 0.48

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
SCHEMBL829351 0.88 SLC9A1 (0.69) OPRD1SLC9A1L3MBTL1RPS6KB1CSNK1D
SCHEMBL828700 0.88 RPS6KB1 (0.51) OPRD1SLC9A1RPS6KB1CSNK1DGSK3A
SCHEMBL829766 0.88 SLC9A1 (0.60) SLC9A1L3MBTL1RPS6KB1CSNK1DGSK3A
SCHEMBL829128 0.87 SLC9A1 (0.62) SLC9A1RPS6KB1CSNK1DGSK3AGSK3B
SCHEMBL829791 0.87 SLC6A4 (0.52) OPRD1SLC9A1RPS6KB1CSNK1DGSK3A
SCHEMBL27695651 0.85 SLC9A1 (0.48) OPRD1SLC9A1RPS6KB1CSNK1DGSK3A
SCHEMBL829818 0.84 SLC9A1 (0.52) OPRD1SLC9A1L3MBTL1RPS6KB1CSNK1D
SCHEMBL9432324 0.84 RPS6KB1 (0.47) OPRD1SLC9A1RPS6KB1CSNK1DGSK3A
SCHEMBL9431193 0.84 RPS6KB1 (0.47) OPRD1SLC9A1RPS6KB1CSNK1DGSK3A
SCHEMBL828784 0.83 SLC9A1 (0.53) SLC9A1RPS6KB1CSNK1DGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143307-B2 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-27 US disclosed
US-20100004466-A1 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-07 US disclosed
EP-1831192-A4 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2009-08-19 EP disclosed
EP-1831192-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Korea Research Institute of Chemical Technology (KR) 2007-09-12 EP disclosed
WO-2006071047-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-07-06 WO disclosed
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 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 (1 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-20100004466-A1 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same TNNI3, TNNT2, SLC9A2 OPRD1 1740/4885SLC9A1 5/4885L3MBTL1 3712/4885

“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.