SCHEMBL1965514

SCHEMBL1965514

CC(=O)CCCNc1nc2[nH]cnc2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.47
▸ GDA Q9Y2T3 1/20 0.39
▸ RIPK1 Q13546 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ GAA P10253 3/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ AKR1B1 P15121 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
SCHEMBL2623143 0.84 XDH (0.65) XDHRIPK1GPR84ALDH1A1KDM4E
SCHEMBL8535455 0.82 XDH (0.67) XDHRIPK1GPR84ALDH1A1KDM4E
SCHEMBL26174316 0.81 XDH (0.53) XDHGDARIPK1GPR84ALDH1A1
SCHEMBL12227599 0.81 GDA (0.45) XDHGDAALDH1A1SMN1; SMN2KDM4E
SCHEMBL23133118 0.81 XDH (0.48) XDHGDARIPK1GPR84ALDH1A1
SCHEMBL16205209 0.79 XDH (0.50) XDHGPR84ALDH1A1SMN1; SMN2KDM4E
SCHEMBL21183279 0.78 XDH (0.44) XDHGDAALDH1A1KDM4EGLA
SCHEMBL21258890 0.77 XDH (0.41) XDHGDAALDH1A1SMN1; SMN2KDM4E
SCHEMBL219477 0.76 GDA (0.62) GDAALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL10047127 0.75 XDH (0.51) XDHRIPK1GPR84ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287313-B2 RNA monomers containing 0-acetal levulinyl ester groups and their use in RNA microarrays THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-05-14 — — US claimed
US-20160340382-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-11-24 — — US claimed
EP-2334692-B1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS UNIV MCGILL (CA) 2016-04-13 — — EP claimed
US-9249175-B2 RNA monomers containing O-acetal levulinyl ester groups and their use in RNA microarrays THE ROYAL INSTITUTE FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-02-02 — — US claimed
US-20120178638-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-12 — — US claimed
EP-2334692-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS The Royal Institution for the Advancement of Learning / McGill University (CA) 2011-06-22 — — EP claimed
WO-2010025566-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2010-03-11 — — WO claimed

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-10287313-B2 RNA monomers containing 0-acetal levulinyl ester groups and their use in RNA microarrays EFTUD2, RNMT, NSUN2 XDH 870/4885GDA 539/4885RIPK1 4085/4885
US-20160340382-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS EFTUD2, RNMT, RNGTT XDH 799/4885GDA 562/4885RIPK1 4052/4885
US-20120178638-A1 RNA MONOMERS CONTAINING O-ACETAL LEVULINYL ESTER GROUPS AND THEIR USE IN RNA MICROARRAYS EFTUD2, RNMT, RNGTT XDH 799/4885GDA 562/4885RIPK1 4052/4885

“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.

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