SCHEMBL1781435

SCHEMBL1781435

Cc1ccc(C2CC(=O)c3cnc(N)nc3C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
TSHR P16473 5/20 0.61
RXFP1 Q9HBX9 2/20 0.61
HPGD P15428 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ALDH1A1 P00352 7/20 0.58
MAPT P10636 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
NPSR1 Q6W5P4 4/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
USP2 O75604 3/20 0.56
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
KDM4E B2RXH2 2/20 0.51
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50

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) GAATSHRRXFP1HPGDSMN1; SMN2
SCHEMBL1779254 0.86 ALDH1A1 (0.61) GAATSHRRXFP1HPGDSMN1; SMN2
SCHEMBL1780301 0.86 TSHR (0.60) GAATSHRRXFP1HPGDSMN1; SMN2
SCHEMBL17838915 0.86 HPGD (0.70) GAATSHRHPGDSMN1; SMN2HSD17B10
SCHEMBL1781844 0.81 TSHR (0.42) GAATSHRRXFP1HPGDSMN1; SMN2
SCHEMBL1781842 0.81 TSHR (0.42) GAATSHRRXFP1HPGDSMN1; SMN2
SCHEMBL12075332 0.81 TSHR (0.42) GAATSHRRXFP1HPGDSMN1; SMN2
SCHEMBL1781312 0.80 ALDH1A1 (0.52) GAATSHRRXFP1HPGDSMN1; SMN2
SCHEMBL10025782 0.79 MAPT (0.59) GAATSHRHPGDSMN1; SMN2HSD17B10
SCHEMBL1781080 0.79 GAA (0.45) GAATSHRRXFP1HPGDSMN1; SMN2

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 14 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-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 (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-20120023625-A1 CHEMICAL INHIBITORS OF ETHYLENE BIOSYNTHESIS COASY, ACACB, FDPS GAA 306/4885TSHR 4240/4885RXFP1 3916/4885
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 GAA 1626/4885TSHR 1723/4885RXFP1 1698/4885

“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.