SCHEMBL1780301

SCHEMBL1780301

Nc1ncc2c(n1)CC(c1ccc(Cl)cc1)CC2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 6/20 0.58
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 1/20 0.53
HPGD P15428 4/20 0.52
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL1780049 0.87 ALDH1A1 (0.66) TSHRGAAALDH1A1MAPTTDP1
SCHEMBL1779254 0.86 ALDH1A1 (0.61) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL1781435 0.86 GAA (0.61) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL10025780 0.86 TSHR (0.63) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL17838915 0.83 HPGD (0.70) TSHRGAAALDH1A1MAPTTDP1
SCHEMBL12075602 0.81 GAA (0.41) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL1781097 0.81 GAA (0.41) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL1781096 0.81 GAA (0.41) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL1781312 0.80 ALDH1A1 (0.52) TSHRKMT2AGAAMEN1ALDH1A1
SCHEMBL12075135 0.78 GAA (0.44) TSHRKMT2AGAAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP claimed
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2019-03-07 US disclosed
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
US-8481459-B2 Chemical inhibitors of ethylene biosynthesis ACADEMIA SINICA (TW) 2013-07-09 US disclosed
US-8481459-B2 Chemical inhibitors of ethylene biosynthesis ACADEMIA SINICA (TW) 2013-07-09 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-20120023625-A1 CHEMICAL INHIBITORS OF ETHYLENE BIOSYNTHESIS ACADEMIA SINICA (TW) 2012-01-26 US disclosed
US-20120023625-A1 CHEMICAL INHIBITORS OF ETHYLENE BIOSYNTHESIS ACADEMIA SINICA (TW) 2012-01-26 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
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 (3 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-20120023625-A1 CHEMICAL INHIBITORS OF ETHYLENE BIOSYNTHESIS COASY, ACACB, FDPS TSHR 4240/4885KMT2A 1390/4885GAA 306/4885
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 TSHR 1723/4885KMT2A 3745/4885GAA 1626/4885
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 TSHR 3773/4885KMT2A 3596/4885GAA 962/4885

“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.