SCHEMBL1782180

SCHEMBL1782180

Nc1nc(C=NO)c2c(n1)CC(c1ccco1)CC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
MAPT P10636 10/20 0.56
TDP1 Q9NUW8 4/20 0.56
SHMT2 P34897 1/20 0.44
MAP1LC3B Q9GZQ8 2/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HTT P42858 4/20 0.43
POLB P06746 3/20 0.43
USP2 O75604 3/20 0.43
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 3/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL1781501 0.81 HSP90AA1 (0.64) ALDH1A1MAPTMAP1LC3BKMT2AMEN1
SCHEMBL1781379 0.80 HSP90AA1 (0.65) ALDH1A1MAPTTDP1SHMT2KMT2A
SCHEMBL1783198 0.78 HSP90AA1 (0.45) ALDH1A1MAPTTDP1MAP1LC3BKDM4E
SCHEMBL1781095 0.78 HSP90AA1 (0.45) ALDH1A1MAPTTDP1MAP1LC3BKDM4E
SCHEMBL1783683 0.78 ADORA2A (0.42) ALDH1A1MAPTMAP1LC3BKDM4EHTT
SCHEMBL1782384 0.77 HSP90AA1 (0.49) ALDH1A1MAPTMAP1LC3BKMT2AMEN1
SCHEMBL1780943 0.76 HSP90AA1 (0.48) ALDH1A1MAPTTDP1MAP1LC3BKMT2A
SCHEMBL1780976 0.76 HSP90AA1 (0.46) ALDH1A1MAPTTDP1MAP1LC3BKMT2A
SCHEMBL1782111 0.75 MAP1LC3B (0.46) ALDH1A1MAPTMAP1LC3BKMT2AMEN1
SCHEMBL1781165 0.73 ALDH1A1 (0.46) ALDH1A1MAPTTDP1SHMT2KMT2A

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 ALDH1A1 1998/4885MAPT 296/4885TDP1 287/4885

“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.