SCHEMBL487607

SCHEMBL487607

C=C(C)c1cc(C(=O)N(C)c2ccc(CN3CCOCC3)cc2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.48
▸ EPAS1 Q99814 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ EGFR P00533 2/20 0.43
▸ PTGER1 P34995 1/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL487587 0.90 PDK1 (0.49) HIF1ASMN1; SMN2MAPTKDM4ELMNA
SCHEMBL10289645 0.87 HIF1A (0.50) HIF1AEPAS1HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL487288 0.83 NPC1 (0.57) HIF1AEPAS1SMN1; SMN2MAPTLMNA
SCHEMBL10290080 0.81 PDK1 (0.46) HIF1ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL487745 0.77 MAPT (0.43) SMN1; SMN2MAPTKDM4ELMNAMAPK1
SCHEMBL382550 0.71 FOLH1 (0.56) SMN1; SMN2MAPTKDM4EPTGER1MEN1
SCHEMBL14991133 0.71 KMT2A (0.46) HSP90AA1MAPTMEN1KMT2AALDH1A1
SCHEMBL4015321 0.70 FOLH1 (0.55) SMN1; SMN2MAPTKDM4EPTGER1MEN1
SCHEMBL1206375 0.70 HSP90AA1 (0.52) HSP90AA1HSP90AB1SMN1; SMN2KDM4ELMNA
SCHEMBL20509703 0.70 SMN1; SMN2 (0.56) HIF1AEPAS1SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (3 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 HIF1A 242/4885EPAS1 916/4885HSP90AA1 1/4885
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 HIF1A 1900/4885EPAS1 1082/4885HSP90AA1 2/4885
US-20080306054-A1 Pharmaceutical Compounds HSP90AB1, HSP90AA1, HSP90AB2P HIF1A 1224/4885EPAS1 4163/4885HSP90AA1 2/4885

“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.

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