SCHEMBL1148419

SCHEMBL1148419

CCCn1ccc2c(-n3c(-c4cc(CC)c(O)cc4O)cnc3S)cccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
HTR2C P28335 1/20 0.34
LMNA P02545 1/20 0.32
PAX8 Q06710 1/20 0.32
CNR2 P34972 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL1147429 0.92 KDM4E (0.33) KDM4EGAAMAPTHTR2CLMNA
SCHEMBL1344029 0.85 KDM4E (0.34) KDM4EGAAMAPTLMNAPAX8
SCHEMBL421396 0.83 GAA (0.35) KDM4EGAAMAPTHTR2CLMNA
SCHEMBL14525259 0.81 ESR1 (0.41) KDM4EGAAHTR2CCNR2
SCHEMBL1343839 0.78 KDM4E (0.33) KDM4EGAAMAPTLMNAPAX8
SCHEMBL421157 0.78 KDM4E (0.34) KDM4EGAAMAPTHTR2CLMNA
SCHEMBL1148483 0.78 ESR1 (0.37) HTR2C
SCHEMBL420102 0.77 CNR2 (0.34) KDM4EGAAMAPTHTR2CLMNA
SCHEMBL14345580 0.77 KDM4E (0.33) KDM4EGAAMAPTHTR2CLMNA
SCHEMBL420105 0.77 CDC25A (0.35) KDM4EGAAMAPTCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2016-01-07 US disclosed
US-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2016-01-07 US disclosed
US-9156794-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 US disclosed
US-9156794-B2 Imidazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 US disclosed
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2010-10-28 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-04-19 US disclosed
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-04-19 US disclosed
WO-2007021877-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-02-22 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 (5 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-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 KDM4E 2790/4885GAA 107/4885MAPT 3136/4885
US-20160000756-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90B1 KDM4E 3212/4885GAA 1026/4885MAPT 2965/4885
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET HSP90AB1, HSP90B1, HSP90AA1 KDM4E 3577/4885GAA 575/4885MAPT 3028/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 KDM4E 2879/4885GAA 320/4885MAPT 2568/4885
US-20070087998-A1 Imidazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90B1 KDM4E 3212/4885GAA 1026/4885MAPT 2965/4885

“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.