SCHEMBL2769995

SCHEMBL2769995

COC(=O)CN(CC(=O)OC)Cc1cc(Br)cc(CN(CC(=O)OC)CC(=O)OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 2/20 0.34
EGFR P00533 1/20 0.34
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CASP3 P42574 2/20 0.33
HSP90AB1 P08238 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 1/20 0.32
CCR6 P51684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
NR1D1 P20393 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
SCHEMBL5007664 0.83 NR1D1 (0.36) ALDH1A1PPARGCCR6TDP1NCOR2
SCHEMBL15104854 0.80 CA12 (0.41) ALDH1A1MAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL2770189 0.80 GLRA3 (0.34) ALDH1A1HSP90AB1TSHRSMN1; SMN2KMT2A
SCHEMBL3628974 0.79 TDP1 (0.38) HSD17B10TSHRTDP1
SCHEMBL7902881 0.78 LTB4R (0.44) ALDH1A1MAPK1HPGDSMN1; SMN2MEN1
SCHEMBL17200937 0.78 NR1D1 (0.35) PPARGCCR6TDP1NCOR2NR1D1
SCHEMBL18979341 0.78 NR1D1 (0.35) PPARGCCR6TDP1NCOR2NR1D1
SCHEMBL24910128 0.76 KDM4E (0.30) ALDH1A1MAPK1MEN1KMT2AL3MBTL1
SCHEMBL7908882 0.76 ALDH1A1 (0.36) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL6027858 0.75 NR1D1 (0.34) ALDH1A1SMN1; SMN2MEN1CYP1A2KMT2A

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
EP-1152010-B1 Oligonucleotide labeling reactants and their use WALLAC OY (FI) 2010-04-21 EP disclosed
EP-1308452-B1 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2008-03-19 EP disclosed
US-20040260080-A1 Oligonucleotide labeling reactants and their use HOVINEN JARI (FI) 2004-12-23 US disclosed
EP-1308452-A2 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2003-05-07 EP 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 ALDH1A1 1426/4885MAPK1 3124/4885HPGD 3497/4885

“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.