SCHEMBL487433

SCHEMBL487433

O=C(c1cc(Cl)ccc1O)N1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.75
HSP90AA1 P07900 2/20 0.66
SMN1; SMN2 Q16637 3/20 0.60
PHGDH O43175 1/20 0.59
TSHR P16473 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 1/20 0.58
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
AKR1C3 P42330 1/20 0.54
HSP90AB1 P08238 1/20 0.54
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL1042677 0.86 KDM4E (1.00) KDM4EHSP90AA1SMN1; SMN2PHGDHTSHR
SCHEMBL487902 0.85 HSP90AA1 (0.63) KDM4EHSP90AA1TSHRMEN1KMT2A
SCHEMBL487595 0.84 HSP90AA1 (0.64) KDM4EHSP90AA1TSHRMEN1KMT2A
SCHEMBL2102484 0.83 KDM4E (0.64) KDM4EHSP90AA1SMN1; SMN2PHGDHTSHR
SCHEMBL9792231 0.83 KDM4E (0.77) KDM4EHSP90AA1SMN1; SMN2PHGDHTSHR
SCHEMBL3901259 0.82 KDM4E (0.71) KDM4EHSP90AA1SMN1; SMN2PHGDHTSHR
SCHEMBL23675368 0.81 LMNA (0.75) KDM4EHSP90AA1TSHRKMT2ALMNA
SCHEMBL3373442 0.81 RAB9A (0.58) KDM4EHSP90AA1SMN1; SMN2KMT2AGAA
SCHEMBL17774880 0.81 HSP90AA1 (0.57) KDM4EHSP90AA1SMN1; SMN2TSHRMEN1
SCHEMBL26098997 0.81 HSP90AA1 (0.66) KDM4EHSP90AA1TSHRLMNAHSP90AB1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220362276-A1 Small Molecule Inhibitors of Viral Replication THE TRUSTEES OF PRINCETON UNIVERSITY 2022-11-17 US disclosed
WO-2020231979-A9 SMALL MOLECULE INHIBITORS OF VIRAL REPLICATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-06-17 WO disclosed
WO-2020231979-A1 SMALL MOLECULE INHIBITORS OF VIRAL REPLICATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-11-19 WO disclosed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 US disclosed
US-7754725-B2 Dihydroxyphenyl isoindolymethanones ASTEX THERAPEUTICS LTD. (GB) 2010-07-13 US disclosed
US-7754725-B2 Dihydroxyphenyl isoindolymethanones ASTEX THERAPEUTICS LTD. (GB) 2010-07-13 US disclosed
US-7754725-B2 Dihydroxyphenyl isoindolymethanones ASTEX THERAPEUTICS LTD. (GB) 2010-07-13 US disclosed
US-20080306054-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2008-12-11 US disclosed
US-20080306054-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2008-12-11 US disclosed
US-20080306054-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2008-12-11 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 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 (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-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES HSP90AA1, HSP90AB1, HSP90AB2P KDM4E 3949/4885HSP90AA1 1/4885SMN1; SMN2 4130/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 KDM4E 3534/4885HSP90AA1 2/4885SMN1; SMN2 4290/4885
US-20220362276-A1 Small Molecule Inhibitors of Viral Replication HSPH1, HSP90AB1, HSP90AA1 KDM4E 3841/4885HSP90AA1 3/4885SMN1; SMN2 2800/4885
US-20080306054-A1 Pharmaceutical Compounds HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 3573/4885HSP90AA1 2/4885SMN1; SMN2 4554/4885

“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.