SCHEMBL10290080

SCHEMBL10290080

C=C(C)c1cc(C(=O)N(Cc2ccccc2)c2ccc(CN3CCOCC3)cc2)c(OCCCC)cc1OCCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 5/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ EP300 Q09472 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TLR7 Q9NYK1 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
SCHEMBL487587 0.92 PDK1 (0.49) PDK1MEN1KMT2ASMN1; SMN2EP300
SCHEMBL10289645 0.86 HIF1A (0.50) MEN1KMT2ANPC1TP53HPGD
SCHEMBL487607 0.81 HIF1A (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL487288 0.73 NPC1 (0.57) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL487466 0.72 HSP90AA1 (0.59) PDK1
SCHEMBL15004588 0.68 HSP90AA1 (0.38) MEN1KMT2ATP53HPGDSMN1; SMN2
SCHEMBL487745 0.68 MAPT (0.43) MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL30277679 0.67 PTGES (0.49) PDK1MEN1KMT2A
SCHEMBL15004568 0.67 HSP90AA1 (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL15004590 0.66 ALDH1A1 (0.39) MEN1KMT2ANPC1HPGDRAB9A

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 PDK1 1212/4885MEN1 4364/4885KMT2A 2907/4885
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 PDK1 449/4885MEN1 4105/4885KMT2A 3703/4885
US-20080306054-A1 Pharmaceutical Compounds HSP90AB1, HSP90AA1, HSP90AB2P PDK1 1687/4885MEN1 2045/4885KMT2A 4660/4885

“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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