SCHEMBL5331194

SCHEMBL5331194

CCCCCCCCCCNC(=O)CBr

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.67
NAAA Q02083 1/20 0.62
EPHX1 P07099 8/20 0.61
FAAH O00519 4/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52

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
SCHEMBL16582460 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5543839 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL14621023 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL6281759 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL23567378 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL6120008 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL23567381 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL5327335 1.00 CASP2 (0.67) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL462832 0.98 CASP2 (0.63) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL3310816 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581047-A1 TOXIN-BINDER FOR HEMODIALYSIS Universität Hamburg (DE) 2025-07-09 EP disclosed
WO-2024047073-A1 TOXIN-BINDER FOR HEMODIALYSIS UNIVERSITÄT HAMBURG (DE) 2024-03-07 WO disclosed
WO-2021199082-A1 ANTIMICROBIAL COMPOUNDS AND USES THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2021-10-07 WO disclosed
US-20150140588-A1 Lipase Variants and Polynucleotides Encoding Same NOVOZYMES A/S (DK) 2015-05-21 US disclosed
CN-103827298-A Lipase variants and polynucleotides encoding same NOVOZYMES AS 2014-05-28 CN disclosed
WO-2007132179-A2 THERAPEUTICS COMPRISING PYRIDINIUM DERIVATIVES UNIVERSITY OF BATH (GB) 2007-11-22 WO disclosed
WO-2007132179-A2 THERAPEUTICS COMPRISING PYRIDINIUM DERIVATIVES UNIVERSITY OF BATH (GB) 2007-11-22 WO disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
EP-1689714-A2 THERAPEUTIC USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY UNIVERSITY OF BATH (GB) 2006-08-16 EP disclosed
WO-2005054198-A2 THERAPEUTICS USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY UNIVERSITY OF BATH (GB) 2005-06-16 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-20070105810-A1 THERAPEUTICS RYR1, ATP2A1, CACNA1E CASP2 1851/4885NAAA 770/4885EPHX1 1323/4885

“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.