SCHEMBL487955

SCHEMBL487955

C=C(C)c1cc(C(=O)Nc2ccc(F)cc2)c(OCc2ccccc2)c(CC(=O)NC)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ SGMS2 Q8NHU3 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ LRRK2 Q5S007 2/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ PTGER1 P34995 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL488035 0.80 SGMS2 (0.57) MEN1KMT2ALMNARXFP1GAA
SCHEMBL487594 0.73 NPC1 (0.52) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL4940769 0.69 SGMS2 (0.66) MEN1KMT2ALMNARXFP1GAA
SCHEMBL487954 0.69 MEN1 (0.48) MEN1KMT2ALMNARXFP1GAA
SCHEMBL487953 0.68 KEAP1 (0.41) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL30779528 0.67 SGMS2 (0.56) MEN1KMT2ALMNARXFP1GAA
SCHEMBL28419055 0.67 SGMS2 (0.59) MEN1KMT2ALMNARXFP1GAA
SCHEMBL21644602 0.67 SGMS2 (0.56) MEN1KMT2ALMNARXFP1GAA
SCHEMBL5106371 0.65 MEN1 (0.60) MEN1KMT2ALMNARXFP1GAA
SCHEMBL22820176 0.65 LMNA (0.55) MEN1KMT2ALMNAALDH1A1NPC1

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 5 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-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-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

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 MEN1 4364/4885KMT2A 2907/4885LMNA 4240/4885
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 MEN1 4105/4885KMT2A 3703/4885LMNA 3973/4885
US-20080306054-A1 Pharmaceutical Compounds HSP90AB1, HSP90AA1, HSP90AB2P MEN1 2045/4885KMT2A 4660/4885LMNA 3688/4885

“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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