SCHEMBL6933533

SCHEMBL6933533

Cc1c(O)ccc2cc(N)c(=O)oc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.55
ESR1 P03372 10/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 2/20 0.54
PABPC1 P11940 1/20 0.54
ERAP1 Q9NZ08 1/20 0.54
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MAOB P27338 2/20 0.46
MAOA P21397 2/20 0.46
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 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
SCHEMBL28197879 0.76 MEN1 (0.50) ESR2ESR1MEN1KMT2AATM
SCHEMBL15628851 0.75 CA12 (0.63) MEN1KMT2AATMSMN1; SMN2MAOB
SCHEMBL16702494 0.74 MEN1 (0.52) ESR2ESR1MEN1KMT2AATM
SCHEMBL4178185 0.74 MCL1 (0.66) ESR2ESR1MEN1KMT2AATM
SCHEMBL28417210 0.74 CYP3A4 (0.47) ESR2ESR1MEN1KMT2AATM
SCHEMBL3130742 0.73 KDM4E (0.55) ESR2ESR1MEN1KMT2AATM
SCHEMBL6155496 0.72 MAOB (0.73) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL31139188 0.72 MAOB (0.73) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL15413701 0.71 ESR2 (0.62) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL6110320 0.71 MAOB (0.71) KMT2AKDM4EALDH1A1GAAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438078-B1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIV KANSAS (US) 2017-10-25 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-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-7960353-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2011-06-14 US disclosed
US-7622451-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2009-11-24 US disclosed
US-7622451-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2009-11-24 US disclosed
US-7608594-B2 Novobiocin analogues as anticancer agents UNIVERSITY OF KANSAS (US) 2009-10-27 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

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 4454/4885MEN1 3938/4885
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders SSB, IAPP, NLN ESR2 4062/4885ESR1 4866/4885MEN1 2788/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 ESR2 3377/4885ESR1 3401/4885MEN1 4739/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD ESR2 3444/4885ESR1 4662/4885MEN1 2090/4885

“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.