SCHEMBL1780885

SCHEMBL1780885

CC1(C)CC(=NO)c2cnc(N)nc2C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
HTT P42858 3/20 0.56
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GRM5 P41594 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3456156 0.76 ALDH1A1 (1.00) ALDH1A1HTTSMN1; SMN2GAAMAOA
SCHEMBL1395351 0.73 TSHR (0.44) ALDH1A1ALOX15KDM4EMAPT
SCHEMBL1395348 0.73 TSHR (0.44) ALDH1A1ALOX15KDM4EMAPT
SCHEMBL1781844 0.69 TSHR (0.42) ALDH1A1HTTSMN1; SMN2HSD17B10GAA
SCHEMBL12075332 0.69 TSHR (0.42) ALDH1A1HTTSMN1; SMN2HSD17B10GAA
SCHEMBL1781842 0.69 TSHR (0.42) ALDH1A1HTTSMN1; SMN2HSD17B10GAA
SCHEMBL1783532 0.66 ALDH1A1 (0.42) ALDH1A1HTTHSD17B10GAAKDM4E
SCHEMBL12075361 0.66 ALDH1A1 (0.42) ALDH1A1HTTHSD17B10GAAKDM4E
SCHEMBL1781097 0.66 GAA (0.41) ALDH1A1HTTSMN1; SMN2HSD17B10GAA
SCHEMBL12075602 0.66 GAA (0.41) ALDH1A1HTTSMN1; SMN2HSD17B10GAA

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 1998/4885HTT 1218/4885ALOX15 3961/4885

“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.