SCHEMBL862163

SCHEMBL862163

CCOC(=O)c1cc(C)cc(CN2CCN(Cc3cc(C)cc(C(=O)NCCNC(=O)C(F)(F)F)n3)CCN(Cc3cc(C)cc(C(=O)OCC)n3)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.35
KMT2A Q03164 2/20 0.34
S1PR2 O95136 1/20 0.34
TP53 P04637 2/20 0.34
HTR1A P08908 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TYMS P04818 1/20 0.33
P2RY12 Q9H244 1/20 0.33
POLB P06746 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.32
METTL3 Q86U44 1/20 0.32
MAPT P10636 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
SCHEMBL862382 0.84 KDM4E (0.38) KMT2AHTR1AKDM4EGAA
SCHEMBL862555 0.83 CYP1A2 (0.44) KMT2AS1PR2KDM4EALDH1A1POLB
SCHEMBL862385 0.77 POLB (0.37) KMT2AS1PR2TP53ALDH1A1POLB
SCHEMBL862549 0.76 POLB (0.36) KMT2AALDH1A1POLB
SCHEMBL862167 0.73 KDM4E (0.38) HTR1AKDM4EALDH1A1BCHEACHE
SCHEMBL13214427 0.71 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL2394680 0.69 GAA (0.39) KMT2ATP53KDM4EALDH1A1P2RY12
SCHEMBL842226 0.69 CHRM3 (0.36) ALDH1A1BCHEACHEGAA
SCHEMBL841452 0.68 ACKR3 (0.40) ALDH1A1MAPT
SCHEMBL11303140 0.68 BRD4 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 GSK3B 4852/4885KMT2A 1390/4885S1PR2 1309/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 GSK3B 4852/4885KMT2A 1390/4885S1PR2 1309/4885

“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.