SCHEMBL6933964

SCHEMBL6933964

Cc1c(O)ccc2c(O)c(/N=N/c3ccccc3)c(=O)oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 13/20 0.56
▸ ESR1 P03372 9/20 0.54
▸ SHBG P04278 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CA12 O43570 1/20 0.47
▸ TNF P01375 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.47
▸ MAPK1 P28482 3/20 0.46
▸ GLA P06280 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPT P10636 2/20 0.45

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
SCHEMBL7194398 1.00 ESR2 (0.56) ESR2ESR1SHBGKDM4EGAA
SCHEMBL11766670 0.75 MAPT (0.59) KDM4EALDH1A1SMN1; SMN2CA12CA9
SCHEMBL11766676 0.75 MAPT (0.59) KDM4EALDH1A1SMN1; SMN2CA12CA9
SCHEMBL6931580 0.73 NQO1 (0.54) ESR2ESR1KDM4EGAAALDH1A1
SCHEMBL6825266 0.72 ESR2 (1.00) ESR2ESR1SHBGKDM4EGAA
SCHEMBL9642463 0.72 MAPT (0.60) KDM4EGAAALDH1A1CA12TNF
SCHEMBL9642459 0.72 MAPT (0.60) KDM4EGAAALDH1A1CA12TNF
SCHEMBL3766383 0.71 KDM4E (0.74) ESR2ESR1SHBGKDM4EGAA
SCHEMBL15413701 0.71 ESR2 (0.62) ESR2ESR1KDM4EGAAALDH1A1
SCHEMBL18073978 0.71 ESR2 (0.63) ESR2ESR1SHBGKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807440-B1 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS UNIV KANSAS (US) 2020-02-19 — — EP disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 — — US disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 — — US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 — — US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 — — US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 — — US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 — — US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 — — US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 — — US disclosed
US-7960353-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2011-06-14 — — US disclosed
US-7608594-B2 Novobiocin analogues as anticancer agents UNIVERSITY OF KANSAS (US) 2009-10-27 — — US disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 — — US disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 — — US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 — — US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 — — US disclosed
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 — — US disclosed
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 — — US disclosed
US-6579902-B1 Antibiotic; ethoxy-carbamic acid 3'-ester of N-(7-((6-deoxy-5-C-methyl-4-O- methyl-alpha-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1 -benzopyran-3-yl)-benzeneacetamide AVENTIS PHARMA S.A. (FR) 2003-06-17 — — US disclosed
EP-1173455-A2 NOVEL RIBOSE-SUBSTITUTED AROMATIC AMIDES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma S.A. (FR) 2002-01-23 — — EP disclosed
WO-2000063222-A2 NOVEL RIBOSE-SUBSTITUTED AROMATIC AMIDES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA S.A. (FR) 2000-10-26 — — 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 (4 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-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P ESR2 3131/4885ESR1 4454/4885SHBG 1876/4885
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders SSB, IAPP, NLN ESR2 4062/4885ESR1 4866/4885SHBG 2439/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 ESR2 3377/4885ESR1 3401/4885SHBG 2026/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD ESR2 3444/4885ESR1 4662/4885SHBG 2834/4885

“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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