SCHEMBL4976503

SCHEMBL4976503

COCc1cccc(NC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4976891 0.90 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1PKMALDH1A1POLB
SCHEMBL4974926 0.88 RXFP1 (0.45) SMN1; SMN2L3MBTL1PKMALDH1A1POLB
SCHEMBL4456795 0.87 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1PKMALDH1A1POLB
SCHEMBL27625203 0.86 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1PKMALDH1A1HTT
SCHEMBL4974115 0.85 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1PKMALDH1A1POLB
SCHEMBL3039800 0.84 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1PKMALDH1A1POLB
SCHEMBL3048622 0.84 POLB (0.62) SMN1; SMN2L3MBTL1PKMALDH1A1POLB
SCHEMBL3039696 0.83 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1PKMALDH1A1POLB
SCHEMBL4980038 0.83 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1PKMALDH1A1POLB
SCHEMBL3038683 0.83 L3MBTL1 (0.58) SMN1; SMN2L3MBTL1PKMALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP claimed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO claimed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO 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-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SMN1; SMN2 4341/4885L3MBTL1 4863/4885PKM 1562/4885

“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.