SCHEMBL1781501

SCHEMBL1781501

Nc1nc(C=NO)c2c(n1)CC(c1ccccc1)CC2=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.64
HSP90AB1 P08238 1/20 0.64
MAP1LC3B Q9GZQ8 6/20 0.52
ALDH1A1 P00352 6/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
THRB P10828 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL1782384 0.88 HSP90AA1 (0.49) HSP90AA1HSP90AB1MAP1LC3BALDH1A1MAPT
SCHEMBL1780943 0.87 HSP90AA1 (0.48) HSP90AA1HSP90AB1MAP1LC3BALDH1A1MAPT
SCHEMBL1780976 0.84 HSP90AA1 (0.46) HSP90AA1HSP90AB1MAP1LC3BALDH1A1MAPT
SCHEMBL1781095 0.84 HSP90AA1 (0.45) HSP90AA1HSP90AB1MAP1LC3BALDH1A1MAPT
SCHEMBL1783198 0.84 HSP90AA1 (0.45) HSP90AA1HSP90AB1MAP1LC3BALDH1A1MAPT
SCHEMBL1783683 0.81 ADORA2A (0.42) HSP90AA1HSP90AB1MAP1LC3BALDH1A1MAPT
SCHEMBL1782180 0.81 ALDH1A1 (0.56) HSP90AA1HSP90AB1MAP1LC3BALDH1A1MAPT
SCHEMBL1782111 0.81 MAP1LC3B (0.46) HSP90AA1HSP90AB1MAP1LC3BALDH1A1MAPT
SCHEMBL5459710 0.81 HSP90AA1 (0.71) HSP90AA1HSP90AB1MAP1LC3BALDH1A1MAPT
SCHEMBL1781499 0.78 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAP1LC3BALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
EP-2144889-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC S.r.l. (IT) 2010-01-20 EP disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 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-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885MAP1LC3B 726/4885

“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.