SCHEMBL842226

SCHEMBL842226

COc1cc(OC)c(-c2cc(CN3CCNCCNCC3)nc(C(=O)NCCNC(=O)C(F)(F)F)c2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.36
HTR4 Q13639 2/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
SIRT1 Q96EB6 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CHRM4 P08173 1/20 0.33
MCHR1 Q99705 1/20 0.33
FGFR3 P22607 2/20 0.33
DDR1 Q08345 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
KDR P35968 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ACVR1 Q04771 1/20 0.33

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
SCHEMBL841572 0.87 GSK3B (0.37) BCHEACHEMTNR1AMTNR1BCHRM4
SCHEMBL841452 0.85 ACKR3 (0.40) FGFR1ALDH1A1
SCHEMBL842259 0.83 MTNR1A (0.38) MTNR1AMTNR1BFGFR3FGFR1FGFR2
SCHEMBL842312 0.82 MTNR1A (0.37) MTNR1AMTNR1BFGFR3FGFR1FGFR2
SCHEMBL862382 0.81 KDM4E (0.38) CHRM3MCHR1DDR1GAAACVR1
SCHEMBL862408 0.77 BCHE (0.38) BCHEACHEMCHR1ALDH1A1
SCHEMBL841840 0.77 BCHE (0.38) BCHEACHEMCHR1ALDH1A1
SCHEMBL841839 0.77 MAPT (0.36) BCHEACHEMCHR1ALDH1A1GAA
SCHEMBL840378 0.74 KMT2A (0.42) ALDH1A1GAA
SCHEMBL842177 0.70 ALDH1A1 (0.41) ALDH1A1GAA

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
EP-1694672-B1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2012-06-20 EP disclosed
US-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 US disclosed
EP-1694672-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2006-08-30 EP disclosed
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2005-08-18 US disclosed
WO-2005058877-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2005-06-30 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 (3 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-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE CLTA, CLTC, FOLH1 CHRM3 4231/4885HTR4 4677/4885BCHE 2054/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 CHRM3 4231/4885HTR4 4677/4885BCHE 2054/4885
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 CHRM3 4231/4885HTR4 4677/4885BCHE 2054/4885

“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.