SCHEMBL1306539

SCHEMBL1306539

CCC(N(C)c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ CRHBP P24387 2/20 0.42
▸ CRHR2 Q13324 2/20 0.42
▸ TLR9 Q9NR96 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ S1PR4 O95977 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36

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
SCHEMBL11162232 0.74 CYP2C19 (0.42) ALDH1A1CRHBPCRHR2LMNANPSR1
SCHEMBL4015787 0.70 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL20878111 0.70 SLC6A2 (0.43) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11263251 0.69 CPA1 (0.45) KMT2AALDH1A1HPGDMAPTSLC6A2
SCHEMBL1821319 0.69 ATM (0.41) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL95074 0.69 TSHR (0.42) MEN1KMT2AALDH1A1LMNASLC6A2
SCHEMBL1822030 0.68 ATM (0.47) KMT2AALDH1A1ATMSMN1; SMN2LMNA
SCHEMBL4358295 0.67 SLC6A2 (0.49) ALDH1A1L3MBTL1LMNASLC6A2SLC6A4
SCHEMBL6007228 0.67 SLC6A2 (0.49) ALDH1A1L3MBTL1LMNASLC6A2SLC6A4
SCHEMBL3205909 0.67 SLC6A2 (0.44) MEN1KMT2AALDH1A1L3MBTL1LMNA

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-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-12-24 — — US disclosed
US-9206162-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-12-08 — — US disclosed
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2015-09-24 — — US disclosed
US-9120745-B2 Triazole compounds that modualte HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-01 — — US disclosed
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-07-02 — — US disclosed
US-9006277-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-04-14 — — US disclosed
US-8927548-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-06 — — US disclosed
EP-2118077-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2014-12-24 — — EP disclosed
US-20140371222-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2014-12-18 — — US disclosed
US-20140296186-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2014-10-02 — — US disclosed
WO-2009023211-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2009-02-19 — — WO disclosed
WO-2008103353-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 — — WO 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
US-20080176840-A1 e.g. 4-(4-(6-(N-(2-methoxyethyl)-N-methylamino)pyridin-3-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; Heat Shock Protein 90 (HSP90) modulator; antiproliferative, anticarcinogenic, antiinflammatory agent; angiogenesis inhibition, infections SYNTA PHARMACEUTICALS CORP 2008-07-24 — — US disclosed
EP-1928846-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2008-06-11 — — EP disclosed
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles SYNTA PHARMACEUTICALS CORP. 2008-04-17 — — US disclosed
WO-2007139967-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 — — WO disclosed
WO-2007139955-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 — — WO disclosed
WO-2007094819-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-08-23 — — WO disclosed
US-20070155809-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-07-05 — — 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 (8 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-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles HSP90AB1, HSP90AA1, HSP90AB2P MEN1 4796/4885KMT2A 4139/4885ALDH1A1 2241/4885
US-20070155809-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 MEN1 4367/4885KMT2A 3432/4885ALDH1A1 2165/4885
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 MEN1 4367/4885KMT2A 3432/4885ALDH1A1 2165/4885
US-20140371222-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 MEN1 4367/4885KMT2A 3432/4885ALDH1A1 2165/4885
US-20140296186-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 MEN1 4367/4885KMT2A 3432/4885ALDH1A1 2165/4885
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 MEN1 4367/4885KMT2A 3432/4885ALDH1A1 2165/4885
US-20080176840-A1 e.g. 4-(4-(6-(N-(2-methoxyethyl)-N-methylamino)pyridin-3-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; Heat Shock Protein 90 (HSP90) modulator; antiproliferative, anticarcinogenic, antiinflammatory agent; angiogenesis inhibition, infections HSP90AB1, HSP90AB2P, HSP90B1 MEN1 4730/4885KMT2A 4153/4885ALDH1A1 1933/4885
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 MEN1 4367/4885KMT2A 3432/4885ALDH1A1 2165/4885

“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.

Send feedback