SCHEMBL930448

SCHEMBL930448

COc1ccc([N+](=O)[O-])c2ccn(S(=O)(=O)c3ccccc3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.53
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 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
SCHEMBL4022373 0.80 HTR6 (0.46) HTR6KMT2AMEN1ALDH1A1PDE4A
SCHEMBL3617754 0.80 HTR6 (0.58) HTR6KMT2AMEN1ALDH1A1PDE4A
SCHEMBL23144154 0.79 HTR6 (0.64) HTR6KMT2AMEN1ALDH1A1PDE4A
SCHEMBL3622058 0.78 HTR6 (0.55) HTR6KMT2AMEN1ALDH1A1PDE4A
SCHEMBL3611396 0.77 HTR6 (0.54) HTR6KMT2AMEN1ALDH1A1PDE4A
SCHEMBL5998134 0.77 HTR6 (0.54) HTR6KMT2AMEN1PDE4APDE4B
SCHEMBL29212284 0.77 HTR6 (0.41) HTR6KMT2AMEN1ALDH1A1HPGD
SCHEMBL29212386 0.76 VCAM1 (0.43) HTR6KMT2AMEN1ALDH1A1MAPT
SCHEMBL5998210 0.76 MEN1 (0.54) HTR6KMT2AMEN1PDE4APDE4B
SCHEMBL26380621 0.75 MEN1 (0.57) HTR6KMT2AMEN1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2019-05-16 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US disclosed
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP 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-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
WO-2007139951-A2 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH PROTOONCOGENE PRODUCTS SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007140002-A2 METHOD FOR TREATING NON-HODGKIN'S LYMPHOMA SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007140002-A2 METHOD FOR TREATING NON-HODGKIN'S LYMPHOMA SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007139951-A2 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH PROTOONCOGENE PRODUCTS SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP disclosed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 WO disclosed
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2006-07-27 US disclosed
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 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-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 HTR6 2807/4885KMT2A 2201/4885MEN1 4169/4885
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 HTR6 2388/4885KMT2A 3417/4885MEN1 4212/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 HTR6 2388/4885KMT2A 3417/4885MEN1 4212/4885
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer HSP90AB1, HSP90AB2P, HSP90AA1 HTR6 3668/4885KMT2A 3623/4885MEN1 4120/4885

“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.