SCHEMBL8931486

SCHEMBL8931486

COc1cc(OC)c(C(C)C)cc1C(=S)Nc1ccc2c(c1)c(C)cn2C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.36
CA9 Q16790 3/20 0.34
CACNA1H O95180 2/20 0.33
CNR1 P21554 2/20 0.33
RAB9A P51151 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
POLB P06746 1/20 0.33
CA2 P00918 1/20 0.33
CMA1 P23946 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MAOB P27338 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33

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
SCHEMBL8931491 0.88 KMT2A (0.46) CHRNA7CA9RAB9AKCNK3KCNK9
SCHEMBL8931493 0.87 CA9 (0.40) CHRNA7CA9CACNA1HCNR1RAB9A
SCHEMBL12832377 0.87 CA9 (0.40) CHRNA7CA9CACNA1HCNR1RAB9A
SCHEMBL1305054 0.81 MAOB (0.46) CHRNA7RAB9AMAOB
SCHEMBL13983493 0.79 KCNK3 (0.43) CHRNA7CA9RAB9AKCNK3KCNK9
SCHEMBL15382886 0.78 RAB9A (0.47) RAB9AKCNK3KCNK9POLBEPHX2
SCHEMBL14345853 0.76 MAOB (0.43) CHRNA7RAB9AMAOB
SCHEMBL18430743 0.73 POLB (0.46) RAB9APOLB
SCHEMBL8965436 0.71 L3MBTL1 (0.33) RAB9AKCNK3KCNK9POLB
SCHEMBL14184179 0.69 NOTUM (0.40) CHRNA7RAB9AMAOB

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 42 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
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
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-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 US disclosed
US-8993608-B2 Method for inhibiting topoisomerase II SYNTA PHARMACEUTICALS CORP. (US) 2015-03-31 US disclosed
US-8969396-B2 Method for treating a B-raf associated cancer with an Hsp90 inhibitor SYNTA PHARMACEUTICALS CORP. (US) 2015-03-03 US disclosed
US-8901308-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-12-02 US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US disclosed
WO-2008153730-A2 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET SYNTA PHARMACEUTICALS CORP. (US) 2008-12-18 WO disclosed
WO-2008112199-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. (US) 2008-09-18 WO disclosed
WO-2008057246-A2 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2008-05-15 WO disclosed
WO-2008051416-A2 COMPOUNDS THAT INHIBIT THE ACTIVITY OF HSP90 FOR TREATING INFECTIONS SYNTA PHARMACEUTICALS CORP. (US) 2008-05-02 WO disclosed
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 CHRNA7 4846/4885CA9 3797/4885CACNA1H 4866/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P CHRNA7 4851/4885CA9 3841/4885CACNA1H 4845/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 CHRNA7 4759/4885CA9 3858/4885CACNA1H 4637/4885
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 CHRNA7 3563/4885CA9 2577/4885CACNA1H 4342/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 CHRNA7 3563/4885CA9 2577/4885CACNA1H 4342/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 CHRNA7 4846/4885CA9 3797/4885CACNA1H 4866/4885

“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.