SCHEMBL6230355

SCHEMBL6230355

CCCCC(CC)CC(CC(=O)O)(C(=O)O)S(=O)(=O)O.CCCCC(CC)CC(CC(=O)O)(C(=O)O)S(=O)(=O)O.[Na]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
CA2 P00918 4/20 0.37
ALDH1A1 P00352 4/20 0.36
HSPD1 P10809 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
TSHR P16473 3/20 0.35
CYP3A4 P08684 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.34
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL1851345 0.99 RECQL (0.39) RECQLCA2ALDH1A1HSPD1BLM
SCHEMBL27841314 0.97 RECQL (0.38) RECQLCA2ALDH1A1HSPD1BLM
Ammonia Solution, Strong SCHEMBL27719586 0.97 RECQL (0.38) RECQLCA2ALDH1A1HSPD1BLM
SCHEMBL28105646 0.97 RECQL (0.38) RECQLCA2ALDH1A1HSPD1BLM
SCHEMBL5574911 0.97 RECQL (0.38) RECQLCA2ALDH1A1HSPD1BLM
SCHEMBL967767 0.97 RECQL (0.38) RECQLCA2ALDH1A1HSPD1BLM
SCHEMBL28850737 0.97 RECQL (0.38) RECQLCA2ALDH1A1HSPD1BLM
SCHEMBL9326629 0.97 RECQL (0.38) RECQLCA2ALDH1A1HSPD1BLM
SCHEMBL27708910 0.97 RECQL (0.38) RECQLCA2ALDH1A1HSPD1BLM
SCHEMBL27945873 0.97 RECQL (0.38) RECQLCA2ALDH1A1HSPD1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884792-B2 Bretylium compositions and kits and their use in preventing and treating cardiovascular conditions BACANER MARVIN B (US) 2005-04-26 US disclosed
EP-1140054-B1 BRETYLIUM COMPOSITIONS AND KITS, AND THEIR USE IN PREVENTING AND TREATING CARDIOVASCULAR CONDITIONS BACANER MARVIN B (US) 2005-03-16 EP disclosed
US-20030119794-A1 Novel bretylium compositions and kits and their use in preventing and treating cardiovascular conditions BACANER MARVIN B (US) 2003-06-26 US disclosed
US-6482811-B1 Bretylium compositions and kits, and their use in preventing and treating cardio-vascular conditions BACANER MARVIN B (US) 2002-11-19 US disclosed
EP-1140054-A2 BRETYLIUM COMPOSITIONS AND KITS, AND THEIR USE IN PREVENTING AND TREATING CARDIOVASCULAR CONDITIONS Bacaner, Marvin B. (US) 2001-10-10 EP disclosed
US-20010008896-A1 Administration of active agents, including 5-HT receptor agonists and antagonists, to treat premature ejaculation SMITH WILLIAM L (US) 2001-07-19 US disclosed
WO-2000040232-A2 BRETYLIUM COMPOSITIONS AND KITS, AND THEIR USE IN PREVENTING AND TREATING CARDIOVASCULAR CONDITIONS BACANER MARVIN B (US) 2000-07-13 WO disclosed
EP-0911690-A1 Photothermographic elements adapted for laser exposure FUJI PHOTO FILM CO., LTD. (JP) 1999-04-28 EP disclosed
US-5759436-A THICKENER-FREE; ALKYLENE GLYCOL AND OXYALKYLENE GLYCOL MIXTURE BASF AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
EP-0713514-B1 AIRCRAFT DE-ICING AND ANTI-ICING AGENTS BASF AG (DE) 1998-01-28 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-20030119794-A1 Novel bretylium compositions and kits and their use in preventing and treating cardiovascular conditions TNNT2, TNNI3, FABP3 RECQL 2671/4885CA2 1647/4885ALDH1A1 1660/4885

“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.