SCHEMBL1867459

SCHEMBL1867459

CC(C)c1cc(-c2nnc(C(N)=O)n2Cc2ccc3c(c2)OCO3)c(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.46
TSHR P16473 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HSP90AA1 P07900 4/20 0.45
MAPT P10636 7/20 0.44
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CASP1 P29466 2/20 0.44
HTT P42858 5/20 0.42
GAA P10253 4/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 5/20 0.41
TRAP1 Q12931 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSP90B1 P14625 2/20 0.41
S1PR2 O95136 2/20 0.41

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
SCHEMBL500704 0.90 APOBEC3A (0.43) LMNATSHRSMN1; SMN2MAPTKDM4E
SCHEMBL3993912 0.86 TSHR (0.49) LMNATSHRSMN1; SMN2HSP90AA1MAPT
SCHEMBL6746692 0.84 TSHR (0.47) LMNATSHRSMN1; SMN2HSP90AA1MAPT
SCHEMBL1866995 0.84 PDK1 (0.42) SMN1; SMN2HSP90AA1KDM4EALDH1A1TRAP1
SCHEMBL1864994 0.83 HSP90AA1 (0.42) TSHRHSP90AA1TRAP1HSP90B1PDK1
SCHEMBL1864619 0.82 HSP90AA1 (0.44) HSP90AA1HSD17B10MEN1KMT2AALOX15
SCHEMBL1861871 0.81 PDK1 (0.41) TSHRHSP90AA1TRAP1HSP90B1PDK1
SCHEMBL17060000 0.80 HSP90AA1 (0.48) LMNASMN1; SMN2HSP90AA1MAPTKDM4E
SCHEMBL3998734 0.79 NPSR1 (0.43) LMNATSHRSMN1; SMN2HSP90AA1MAPT
SCHEMBL6746914 0.79 HSP90AA1 (0.47) LMNATSHRSMN1; SMN2HSP90AA1MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150283147-A1 TREATING POLYCYSTIC KIDNEY DISEASE WITH HSP90 INHIBITORY COMPOUNDS THE INSTITUTE FOR CANCER RESEARCH D/B/A THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER 2015-10-08 US disclosed
US-20150283147-A1 TREATING POLYCYSTIC KIDNEY DISEASE WITH HSP90 INHIBITORY COMPOUNDS THE INSTITUTE FOR CANCER RESEARCH D/B/A THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER 2015-10-08 US disclosed
US-20150283147-A1 TREATING POLYCYSTIC KIDNEY DISEASE WITH HSP90 INHIBITORY COMPOUNDS THE INSTITUTE FOR CANCER RESEARCH D/B/A THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER 2015-10-08 US disclosed
EP-2118077-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-12-24 EP disclosed
US-20140288301-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-09-25 US disclosed
US-20140288301-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-09-25 US disclosed
US-20140288301-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-09-25 US disclosed
CN-101679319-B Triazole compounds useful for the treatment of proliferative disorders such as cancer SYNTA PHARMACEUTICALS CORP 2014-07-09 CN disclosed
US-8748424-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-06-10 US disclosed
US-8748424-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-06-10 US disclosed
US-20130072489-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-8299107-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORPORATION (US) 2012-10-30 US disclosed
US-8299107-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORPORATION (US) 2012-10-30 US disclosed
US-8299107-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORPORATION (US) 2012-10-30 US disclosed
US-20110105483-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORPORATION 2011-05-05 US disclosed
US-20110105483-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORPORATION 2011-05-05 US disclosed
US-20110105483-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORPORATION 2011-05-05 US disclosed
CN-101679319-A Triazole compounds useful for the treatment of proliferative disorders such as cancer SYNTA PHARMACEUTICALS CORP 2010-03-24 CN disclosed
EP-2118077-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-11-18 EP disclosed
WO-2008097640-A2 TRIAZOLE COMPOUNDS THAT ARE USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS, SUCH AS CANCER SYNTA PHARMACEUTICALS CORP. (US) 2008-08-14 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 (4 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-20150283147-A1 TREATING POLYCYSTIC KIDNEY DISEASE WITH HSP90 INHIBITORY COMPOUNDS HSP90B1, HSP90AB1, HSP90AA1 LMNA 4105/4885TSHR 4157/4885SMN1; SMN2 4810/4885
US-20110105483-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P LMNA 4608/4885TSHR 1442/4885SMN1; SMN2 4824/4885
US-20140288301-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 LMNA 4005/4885TSHR 4046/4885SMN1; SMN2 4584/4885
US-20130072489-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 LMNA 3854/4885TSHR 3737/4885SMN1; SMN2 4630/4885

“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.