SCHEMBL829134

SCHEMBL829134

CC(C)c1cccc2sc(C(=O)NC(=N)N)cc12.CS(=O)(=O)O

nearest known ligand 0.67

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 18/20 0.67
F9 P00740 2/20 0.44
PLAU P00749 2/20 0.44
F10 P00742 1/20 0.41

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
SCHEMBL828380 0.84 SLC9A1 (0.49) SLC9A1PLAU
SCHEMBL828437 0.84 SLC9A1 (0.65) SLC9A1
SCHEMBL828939 0.84 SLC9A1 (0.65) SLC9A1PLAU
SCHEMBL828551 0.83 SLC9A1 (0.65) SLC9A1F9PLAUF10
SCHEMBL829096 0.83 SLC9A1 (0.65) SLC9A1
SCHEMBL828890 0.83 SLC9A1 (0.65) SLC9A1
SCHEMBL828299 0.82 SLC9A1 (0.66) SLC9A1PLAU
SCHEMBL829737 0.81 SLC9A1 (0.67) SLC9A1
SCHEMBL829337 0.81 SLC9A1 (0.67) SLC9A1F9PLAUF10
SCHEMBL829474 0.81 SLC9A1 (0.67) SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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

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 5/4885F9 2522/4885PLAU 2876/4885

“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.