SCHEMBL6931580

SCHEMBL6931580

O=c1oc2cc(O)ccc2c(O)c1/N=N/c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 4/20 0.54
▸ RXFP1 Q9HBX9 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ MAOA P21397 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ESR1 P03372 2/20 0.52
▸ ESR2 Q92731 2/20 0.52
▸ GLA P06280 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ MGAM O43451 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CSNK2A2 P19784 1/20 0.52

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
SCHEMBL11766670 0.85 MAPT (0.59) NQO1RXFP1MAOAMAPTKDM4E
SCHEMBL11766676 0.85 MAPT (0.59) NQO1RXFP1MAOAMAPTKDM4E
SCHEMBL13418778 0.74 PPARG (0.47) RXFP1MAPTKDM4EMEN1KMT2A
SCHEMBL11478035 0.74 ERAP1 (0.74) NQO1RXFP1NPSR1MAOAMAPT
SCHEMBL8490397 0.73 NQO1 (0.69) NQO1RXFP1NPSR1MAOAMAPT
SCHEMBL6933964 0.73 ESR2 (0.56) MAOAMAPTKDM4EMEN1KMT2A
SCHEMBL7194398 0.73 ESR2 (0.56) MAOAMAPTKDM4EMEN1KMT2A
SCHEMBL14744294 0.71 MAP1LC3B (0.77) —
SCHEMBL10701325 0.71 HSD17B3 (0.57) RXFP1NPSR1MAOAMAPTKDM4E
SCHEMBL29369247 0.71 NPSR1 (1.00) NQO1RXFP1NPSR1MAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7960353-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2011-06-14 — — 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 NQO1 966/4885RXFP1 4167/4885NPSR1 3601/4885
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders SSB, IAPP, NLN NQO1 449/4885RXFP1 3310/4885NPSR1 3009/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 NQO1 216/4885RXFP1 4346/4885NPSR1 2998/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD NQO1 610/4885RXFP1 4129/4885NPSR1 4377/4885

“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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