SCHEMBL487745

SCHEMBL487745

C=C(C)c1cc(C(=O)N(CC(=O)NC)CN2CCOCC2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ EGFR P00533 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ ABCB1 P08183 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.37
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ APP P05067 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL487607 0.77 HIF1A (0.48) MAPTALDH1A1EGFRHSD17B10ABCB1
SCHEMBL487587 0.76 PDK1 (0.49) MAPTEGFRKDM4ESMN1; SMN2KMT2A
SCHEMBL487288 0.74 NPC1 (0.57) MAPTALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL487953 0.74 KEAP1 (0.41) MAPTKMT2AMEN1LMNA
SCHEMBL1206775 0.71 MAOB (0.44) MAPTALDH1A1EGFRSMN1; SMN2
SCHEMBL382550 0.70 FOLH1 (0.56) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL383297 0.69 LMNA (0.50) MAPTKDM4ESMN1; SMN2HPGDKMT2A
SCHEMBL19881366 0.69 MAOB (0.42) ALDH1A1EGFRNMT2NMT1HPGD
SCHEMBL4015321 0.69 FOLH1 (0.55) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL14856959 0.69 HSD17B10 (0.43) MAPTALDH1A1HSD17B10ABCB1NMT2

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 MAPT 1109/4885ALDH1A1 269/4885EGFR 3366/4885
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 MAPT 4368/4885ALDH1A1 377/4885EGFR 3384/4885
US-20080306054-A1 Pharmaceutical Compounds HSP90AB1, HSP90AA1, HSP90AB2P MAPT 82/4885ALDH1A1 891/4885EGFR 666/4885

“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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