SCHEMBL4975663

SCHEMBL4975663

COc1cc(NC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)cc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MAPT P10636 8/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ANO1 Q5XXA6 1/20 0.42
ANO2 Q9NQ90 1/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3045466 0.88 MAPT (0.54) POLBMAPTL3MBTL1SMN1; SMN2PKM
SCHEMBL3048622 0.86 POLB (0.62) POLBMAPTL3MBTL1SMN1; SMN2PKM
SCHEMBL4977842 0.85 POLB (0.56) POLBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL3039696 0.84 SMN1; SMN2 (0.51) POLBMAPTL3MBTL1SMN1; SMN2PKM
SCHEMBL4976965 0.84 POLB (0.55) POLBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4978408 0.83 L3MBTL1 (0.57) POLBMAPTL3MBTL1SMN1; SMN2PKM
SCHEMBL3032769 0.82 ALDH1A1 (0.53) POLBMAPTL3MBTL1SMN1; SMN2PKM
SCHEMBL3039180 0.82 POLB (0.52) POLBMAPTL3MBTL1SMN1; SMN2PKM
SCHEMBL4456795 0.82 SMN1; SMN2 (0.55) POLBMAPTL3MBTL1SMN1; SMN2PKM
SCHEMBL3038427 0.81 SMN1; SMN2 (0.49) POLBMAPTL3MBTL1SMN1; SMN2PKM

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 POLB 2972/4885MAPT 441/4885L3MBTL1 4863/4885

“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.