SCHEMBL4976581

SCHEMBL4976581

COc1cc(CNC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KMT2A Q03164 8/20 0.47
GAA P10253 1/20 0.47
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 5/20 0.45
PDE7A Q13946 1/20 0.44
PDE3A Q14432 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ENPP2 Q13822 1/20 0.43
ABCB1 P08183 1/20 0.43
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 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) MAPTKMT2AGAAHTTALDH1A1
SCHEMBL4974183 0.84 MAPT (0.61) MAPTKMT2AGAAALDH1A1MEN1
SCHEMBL4977421 0.81 KMT2A (0.48) MAPTKMT2AHTTALDH1A1MEN1
SCHEMBL3046393 0.81 KMT2A (0.48) MAPTKMT2AHTTALDH1A1MEN1
SCHEMBL4976362 0.80 PTPN1 (0.47) MAPTKMT2AHTTALDH1A1MEN1
SCHEMBL3048622 0.80 POLB (0.62) MAPTKMT2AGAAHTTALDH1A1
SCHEMBL4972898 0.80 PTPN1 (0.46) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL4976373 0.79 PTPN1 (0.57) MAPTKMT2AGAAHTTALDH1A1
SCHEMBL3034821 0.79 ATG4B (0.50) MAPTKMT2AHTTALDH1A1MEN1
SCHEMBL3034391 0.79 L3MBTL1 (0.47) MAPTKMT2AHTTALDH1A1MEN1

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 MAPT 441/4885KMT2A 2077/4885GAA 548/4885

“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.