SCHEMBL828767

SCHEMBL828767

COC(=O)c1cc2c(Br)c(C)ccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
KDR P35968 1/20 0.44
ICAM1 P05362 1/20 0.44
SELE P16581 1/20 0.44
VCAM1 P19320 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL3822544 0.94 ICAM1 (0.41) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL21505451 0.86 KDM4E (0.46) CSNK2A1ICAM1SELEVCAM1HDAC1
SCHEMBL30640499 0.86 KDM4E (0.46) CSNK2A1ICAM1SELEVCAM1HDAC1
SCHEMBL26622003 0.85 PTPN2 (0.45) ICAM1SELEHDAC1HDAC3HDAC4
SCHEMBL829703 0.84 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL24858604 0.84 CCNC (0.46) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL30714296 0.84 RPS6KB1 (0.45) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL9431710 0.84 HDAC1 (0.52) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL26110533 0.84 RPS6KB1 (0.45) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL829477 0.83 CCNC (0.48) CSNK2A2CSNK2BCSNK2A1KDRICAM1

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 CSNK2A2 1358/4885CSNK2B 1207/4885CSNK2A1 1316/4885

“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.