SCHEMBL4453735

SCHEMBL4453735

COc1cc(NC(=O)Cn2cnc3cccc(C(=O)O)c32)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL3043481 0.92 LMNA (0.50) POLBSMN1; SMN2MAPTTP53LMNA
SCHEMBL4973402 0.92 TP53 (0.50) POLBSMN1; SMN2MAPTTP53LMNA
SCHEMBL4465214 0.91 RXFP1 (0.47) POLBMAPTLMNAKDM4E
SCHEMBL4975311 0.90 POLB (0.46) POLBSMN1; SMN2MAPTTP53L3MBTL1
SCHEMBL4973065 0.90 POLB (0.46) POLBSMN1; SMN2MAPTTP53L3MBTL1
SCHEMBL4976256 0.89 POLB (0.45) POLBSMN1; SMN2MAPTTP53L3MBTL1
SCHEMBL4975792 0.88 POLB (0.54) POLBSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4974937 0.88 ALDH1A1 (0.54) POLBSMN1; SMN2MAPTTP53LMNA
SCHEMBL4975362 0.88 POLB (0.44) POLBSMN1; SMN2MAPTTP53LMNA
SCHEMBL3045782 0.87 SMN1; SMN2 (0.51) POLBSMN1; SMN2MAPTTP53LMNA

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
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed
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 2972/4885SMN1; SMN2 4341/4885MAPT 441/4885

“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.