Sugi Predict

Sugi Predict / Compounds / SCHEMBL1829468

SCHEMBL1829468

SCHEMBL1829468

O=C1CC2(CCCC2)Oc2ccc(Br)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.68
▸ ATM Q13315 3/20 0.67
▸ HTT P42858 1/20 0.67
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HDAC3 O15379 7/20 0.47
▸ HDAC4 P56524 7/20 0.47
▸ HDAC1 Q13547 7/20 0.47
▸ HDAC7 Q8WUI4 7/20 0.47
▸ HDAC2 Q92769 7/20 0.47
▸ HDAC10 Q969S8 7/20 0.47
▸ HDAC11 Q96DB2 7/20 0.47
▸ HDAC8 Q9BY41 7/20 0.47
▸ HDAC6 Q9UBN7 7/20 0.47
▸ HDAC9 Q9UKV0 7/20 0.47
▸ HDAC5 Q9UQL6 7/20 0.47

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
SCHEMBL1828856 0.98 KDM4E (0.69) KDM4EATMHTTCA1CA2
SCHEMBL1821870 0.98 KDM4E (0.69) KDM4EATMHTTCA1CA2
SCHEMBL619674 0.97 KDM4E (0.64) KDM4EATMHTTCA1CA2
SCHEMBL1979356 0.94 KDM4E (0.59) KDM4EATMHTTCA1CA2
SCHEMBL7959375 0.89 KDM4E (0.56) KDM4EATMHTTCA1CA2
SCHEMBL1819491 0.88 KDM4E (0.54) KDM4EATMHTTCA1CA2
SCHEMBL1822388 0.88 KDM4E (0.54) KDM4EATMHTTCA1CA2
SCHEMBL7959376 0.88 KDM4E (0.54) KDM4EATMHTTCA1CA2
SCHEMBL7609327 0.88 KDM4E (0.56) KDM4EATMHTTCA1CA2
SCHEMBL10265984 0.87 KDM4E (0.52) KDM4EATMHTTCA1CA2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 — — CN disclosed
EP-1716141-B1 BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF Université de Liège (BE) 2016-01-20 — — EP disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 — — US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 — — US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 — — US disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 — — EP disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 — — EP disclosed
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2013-11-28 — — US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 — — US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 — — US disclosed
EP-2324032-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2011-05-25 — — EP disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 — — WO disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 — — WO disclosed
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 — — US disclosed
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 — — US disclosed
US-7507761-B2 Benzopyran derivatives, method of production and use thereof UNIVERSITE DE LIEGE (BE) 2009-03-24 — — US disclosed
US-20070112063-A1 Benzopyran derivatives, method of production and use thereof UNIVERSITE DE LIEGE (BE) 2007-05-17 — — US disclosed
EP-1589015-A1 Benzopyran derivatives, method of production and use thereof Université de Liège (BE) 2005-10-26 — — EP 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-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP KDM4E 3004/4885ATM 4610/4885HTT 808/4885
US-20070112063-A1 Benzopyran derivatives, method of production and use thereof CBR3, CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KDM4E 2654/4885ATM 4412/4885HTT 855/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP KDM4E 3004/4885ATM 4610/4885HTT 808/4885

“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.