SCHEMBL2770189

SCHEMBL2770189

C#Cc1cc(CN(CC(=O)OC)CC(=O)OC)nc(CN(CC(=O)OC)CC(=O)OC)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSP90AB1 P08238 1/20 0.30
NR1D1 P20393 1/20 0.30

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
SCHEMBL5004491 0.84 NR1D1 (0.34) ALDH1A1NR1D1
SCHEMBL2769995 0.80 ALDH1A1 (0.38) ALDH1A1KMT2ATSHRSMN1; SMN2HSP90AB1
SCHEMBL14259370 0.75 KDM4E (0.35) ALDH1A1KMT2A
SCHEMBL7902881 0.75 LTB4R (0.44) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7908882 0.72 ALDH1A1 (0.36) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7902880 0.69 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2NR1D1
SCHEMBL5004256 0.67 GABRA5 (0.37) ALDH1A1NR1D1
SCHEMBL15895187 0.67 GLRA3 (0.39) GLRA3GLRBALDH1A1KMT2A
SCHEMBL18674465 0.66 EGLN1 (0.36) TSHR
SCHEMBL10958880 0.65 NR1D1 (0.51) ALDH1A1KMT2ASMN1; SMN2HSP90AB1NR1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1152010-B1 Oligonucleotide labeling reactants and their use WALLAC OY (FI) 2010-04-21 EP disclosed
US-6949639-B1 Oligonucleotide labeling reactants and their use WALLAC OY (FI) 2005-09-27 US disclosed
US-20040260080-A1 Oligonucleotide labeling reactants and their use HOVINEN JARI (FI) 2004-12-23 US disclosed
EP-1152010-A2 Oligonucleotide labeling reactants and their use WALLAC OY (FI) 2001-11-07 EP 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-20040260080-A1 Oligonucleotide labeling reactants and their use SSU72, LIG4, NSUN2 GLRA3 2544/4885GLRB 648/4885ALDH1A1 1426/4885

“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.