SCHEMBL488035

SCHEMBL488035

C=C(C)c1cc(C(=O)Nc2ccc(F)cc2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ LRRK2 Q5S007 4/20 0.54
▸ LMNA P02545 2/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ NPC1 O15118 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ PTGER1 P34995 1/20 0.48

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
SCHEMBL30779528 0.83 SGMS2 (0.56) SGMS2GAAMEN1KMT2ALRRK2
SCHEMBL21644602 0.83 SGMS2 (0.56) SGMS2GAAMEN1KMT2ALRRK2
SCHEMBL487954 0.82 MEN1 (0.48) SGMS2GAAMEN1KMT2ALRRK2
SCHEMBL4940769 0.81 SGMS2 (0.66) SGMS2GAAMEN1KMT2ALRRK2
SCHEMBL487288 0.80 NPC1 (0.57) KMT2ALMNANPC1ALDH1A1MAPT
SCHEMBL487955 0.80 MEN1 (0.45) SGMS2GAAMEN1KMT2ALRRK2
SCHEMBL382550 0.79 FOLH1 (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28419055 0.79 SGMS2 (0.59) SGMS2GAAMEN1KMT2ALRRK2
SCHEMBL383297 0.78 LMNA (0.50) SGMS2GAAMEN1KMT2ALMNA
SCHEMBL4015321 0.78 FOLH1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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 7 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
EP-1883402-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-02-06 — — EP 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
WO-2006109075-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 — — WO 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 SGMS2 4577/4885GAA 3753/4885MEN1 4364/4885
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 SGMS2 3693/4885GAA 3490/4885MEN1 4105/4885
US-20080306054-A1 Pharmaceutical Compounds HSP90AB1, HSP90AA1, HSP90AB2P SGMS2 4863/4885GAA 3323/4885MEN1 2045/4885

“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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