SCHEMBL1781998

SCHEMBL1781998

O=C1CC(=O)CC(c2cccc3c2OCO3)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
DRD2 P14416 13/20 0.39
HTR2A P28223 13/20 0.39
DRD3 P35462 13/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HTR1A P08908 1/20 0.39
GSK3B P49841 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
Methylamine SCHEMBL27464902 0.75 MGAM (0.49) GAAMGAMAMY1ASIMGAM2
SCHEMBL31546199 0.74 MGAM (0.43) GAAMGAMAMY1ASIMGAM2
SCHEMBL12081257 0.72 HTR2C (0.47) GAAMGAMAMY1ASIMGAM2
SCHEMBL6782222 0.70 ABCG2 (0.43) GAAMGAMAMY1ASIMGAM2
SCHEMBL9715368 0.70 EED (0.51) GAAMGAMAMY1ASIMGAM2
SCHEMBL13584700 0.69 ABCG2 (0.46) GAAMGAMAMY1ASIMGAM2
SCHEMBL28784844 0.69 MGAM (0.44) GAAMGAMAMY1ASIMGAM2
SCHEMBL30011530 0.69 GSK3B (0.46) KMT2ATDP1GAAMGAMAMY1A
SCHEMBL15239396 0.69 GSK3B (0.46) KMT2ATDP1GAAMGAMAMY1A
SCHEMBL24326967 0.68 MAPT (0.49) MAPTGAAMGAMAMY1ASI

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 10 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
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 WO disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 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 (2 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 TP53 90/4885RECQL 31/4885MAPT 296/4885
US-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 TP53 3218/4885RECQL 3560/4885MAPT 4656/4885

“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.