SCHEMBL1780428

SCHEMBL1780428

CN(C)C=C1C(=O)CC(c2ccccc2F)CC1=O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 10/20 0.69
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRM2 Q14416 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL22056783 0.82 MAP1LC3B (1.00) MAP1LC3BSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL21821740 0.80 MAP1LC3B (0.47) MAP1LC3BSMN1; SMN2ALDH1A1HTTADRA1D
SCHEMBL29582511 0.80 MAP1LC3B (0.47) MAP1LC3BSMN1; SMN2ALDH1A1HTTADRA1D
SCHEMBL21821649 0.79 MAP1LC3B (0.66) MAP1LC3BSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL1781367 0.79 MAP1LC3B (1.00) MAP1LC3BSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL29581585 0.79 MAP1LC3B (0.66) MAP1LC3BSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL1780317 0.78 MAP1LC3B (1.00) MAP1LC3BSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL21821884 0.76 MAP1LC3B (0.54) MAP1LC3BSMN1; SMN2ALDH1A1KDM4E
SCHEMBL29582078 0.76 MAP1LC3B (0.54) MAP1LC3BSMN1; SMN2ALDH1A1KDM4E
SCHEMBL21822057 0.75 MAP1LC3B (0.60) MAP1LC3BSMN1; SMN2ALDH1A1MAPTHTT

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 9 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
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
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US 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
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 MAP1LC3B 726/4885SMN1; SMN2 3531/4885ALDH1A1 1998/4885

“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.