SCHEMBL862167

SCHEMBL862167

Cc1cc(CN2CCN(Cc3cc(C)cc(C(=O)O)n3)CCN(Cc3cc(C)cc(C(=O)NCCN)n3)CC2)nc(C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HTR1A P08908 6/20 0.37
MAOB P27338 1/20 0.35
JAK2 O60674 1/20 0.34
FLT3 P36888 1/20 0.34
SYK P43405 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.34
HTR2A P28223 5/20 0.33
HTR2C P28335 5/20 0.33
SLC6A4 P31645 4/20 0.33
DRD3 P35462 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
DRD2 P14416 1/20 0.33
DNM1L O00429 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
SCHEMBL11303038 0.85 KDM5C (0.38) KDM4ELMNAALDH1A1DNM1L
SCHEMBL11303140 0.84 BRD4 (0.41) LMNA
SCHEMBL862408 0.79 BCHE (0.38) KDM4EHTR1ABCHEACHELMNA
SCHEMBL841840 0.78 BCHE (0.38) KDM4EHTR1ABCHEACHELMNA
SCHEMBL11306722 0.77 MGLL (0.35) KDM4ELMNAALDH1A1
SCHEMBL13132162 0.76 ALDH1A1 (0.40) KDM4ELMNADRD3ALDH1A1DRD2
SCHEMBL13492105 0.75 BRD4 (0.49) KDM4EALDH1A1
SCHEMBL862163 0.73 GSK3B (0.35) KDM4EHTR1ABCHEACHEALDH1A1
SCHEMBL862382 0.72 KDM4E (0.38) KDM4EHTR1A
SCHEMBL25483531 0.72 MAPT (0.37) KDM4ELMNAALDH1A1

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 KDM4E 3409/4885HTR1A 4774/4885MAOB 3982/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 KDM4E 3409/4885HTR1A 4774/4885MAOB 3982/4885

“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.