SCHEMBL828906

SCHEMBL828906

COC(=O)c1cc2c(-c3cc(Cl)ccc3Cl)cccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 11/20 0.49
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
DYRK1A Q13627 2/20 0.46
RPS6KB1 P23443 1/20 0.46
CSNK1D P48730 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
NTRK2 Q16620 1/20 0.46

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
SCHEMBL829004 0.88 SLC9A1 (0.62) SLC9A1CCNCCDK8HDAC3HDAC4
SCHEMBL830367 0.88 ALDH1A1 (0.51) SLC9A1CCNCCDK8HDAC3HDAC4
SCHEMBL829791 0.85 SLC6A4 (0.52) SLC9A1CCNCCDK8HDAC3HDAC4
SCHEMBL829546 0.85 HDAC3 (0.51) SLC9A1CCNCCDK8HDAC3HDAC4
SCHEMBL829517 0.84 SLC9A1 (0.64) SLC9A1DYRK1ARPS6KB1CSNK1DGSK3A
SCHEMBL828357 0.82 SLC9A1 (0.62) SLC9A1CCNCCDK8HDAC3HDAC4
SCHEMBL828439 0.81 HDAC3 (0.68) SLC9A1CCNCCDK8HDAC3HDAC4
SCHEMBL829309 0.80 SLC9A1 (0.66) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6331785 0.80 CCNC (0.49) SLC9A1CCNCCDK8HDAC3HDAC4
SCHEMBL828698 0.79 ALDH1A1 (0.56) SLC9A1HDAC3HDAC4HDAC1HDAC7

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 5 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

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 5/4885CCNC 4041/4885CDK8 4140/4885

“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.