SCHEMBL829128

SCHEMBL829128

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 10/20 0.62
RIPK1 Q13546 4/20 0.61
CSNK1D P48730 2/20 0.59
GSK3A P49840 2/20 0.59
GSK3B P49841 2/20 0.59
DYRK1A Q13627 2/20 0.59
AURKB Q96GD4 2/20 0.59
RPS6KB1 P23443 1/20 0.59
NTRK2 Q16620 1/20 0.59
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 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
SCHEMBL829114 0.90 SLC9A1 (0.62) SLC9A1RIPK1CSNK1DGSK3AGSK3B
SCHEMBL828539 0.88 CSNK1D (0.74) SLC9A1RIPK1CSNK1DGSK3AGSK3B
SCHEMBL828700 0.88 RPS6KB1 (0.51) SLC9A1RIPK1CSNK1DGSK3AGSK3B
SCHEMBL829766 0.88 SLC9A1 (0.60) SLC9A1RIPK1CSNK1DGSK3AGSK3B
SCHEMBL828534 0.87 RPS6KB1 (0.57) SLC9A1RIPK1CSNK1DGSK3AGSK3B
SCHEMBL829324 0.87 OPRD1 (0.61) SLC9A1RIPK1CSNK1DGSK3AGSK3B
SCHEMBL829791 0.87 SLC6A4 (0.52) SLC9A1RIPK1CSNK1DGSK3AGSK3B
SCHEMBL18889267 0.86 SLC9A1 (0.68) SLC9A1RIPK1CSNK1DGSK3AGSK3B
SCHEMBL829818 0.86 SLC9A1 (0.52) SLC9A1RIPK1CSNK1DGSK3AGSK3B
SCHEMBL830040 0.85 SLC9A1 (0.64) SLC9A1RIPK1CSNK1DGSK3AGSK3B

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
CN-101137641-B Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RES INST CHEM TECH 2010-11-24 CN 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
CN-101137641-A Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RES INST CHEM TECH (KR) 2008-03-05 CN 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

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 SLC9A1 5/4885RIPK1 3720/4885CSNK1D 1404/4885

“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.