SCHEMBL841452

SCHEMBL841452

COc1cc(OC)c(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC3)nc(C(=O)NCCNC(=O)C(F)(F)F)c2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.40
KMT5A Q9NQR1 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
EPHX2 P34913 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC2A1 P11166 1/20 0.35
FGFR1 P11362 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
MGLL Q99685 2/20 0.34
KDM1A O60341 2/20 0.34
EHMT2 Q96KQ7 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34

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 0.86 GSK3B (0.37) MAPTALDH1A1FGFR1
SCHEMBL842226 0.85 CHRM3 (0.36) ALDH1A1FGFR1
SCHEMBL862380 0.83 ACKR3 (0.43) ACKR3SMN1; SMN2FGFR1
SCHEMBL842259 0.80 MTNR1A (0.38) FGFR1
SCHEMBL842312 0.80 MTNR1A (0.37) FGFR1
SCHEMBL841839 0.76 MAPT (0.36) MAPTALDH1A1LMNA
SCHEMBL841840 0.76 BCHE (0.38) MAPTALDH1A1LMNA
SCHEMBL840378 0.73 KMT2A (0.42) ALDH1A1LMNASMN1; SMN2
SCHEMBL12049226 0.71 LMNA (0.34) ACKR3MAPTCD274LMNASMN1; SMN2
SCHEMBL842177 0.70 ALDH1A1 (0.41) ALDH1A1

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 ACKR3 560/4885KMT5A 3832/4885MAPT 2705/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 ACKR3 560/4885KMT5A 3832/4885MAPT 2705/4885
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 ACKR3 560/4885KMT5A 3832/4885MAPT 2705/4885

“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.