SCHEMBL1607693

SCHEMBL1607693

COc1cc(O)c(C)c2oc(=O)c(NC(=O)OCc3ccccc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.53
MAOA P21397 2/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
TACR3 P29371 1/20 0.42
SHBG P04278 1/20 0.41
F10 P00742 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL1607267 0.82 MAOB (0.65) MAOBMAOAKMT2AMEN1POLB
SCHEMBL31435801 0.82 MAOB (0.65) MAOBMAOAKMT2AMEN1POLB
SCHEMBL1606549 0.82 MAOB (0.59) MAOBMAOAKMT2AMEN1POLB
Acetic Acid SCHEMBL28693389 0.80 KMT2A (0.66) MAOBKMT2AMEN1POLBNPC1
SCHEMBL6935278 0.79 MAOB (0.58) MAOBMAOAKMT2AMEN1POLB
SCHEMBL1607576 0.78 MAOB (0.62) MAOBMAOAKMT2AMEN1POLB
SCHEMBL6934405 0.78 MAOB (0.65) MAOBMAOAKMT2AMEN1POLB
SCHEMBL1607871 0.77 MAOB (0.42) MAOBMAOAKMT2AMEN1POLB
SCHEMBL4083339 0.77 MAOB (0.42) MAOBMAOAKMT2AMEN1POLB
SCHEMBL1608302 0.77 MAOB (0.57) MAOBMAOAKMT2AMEN1POLB

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 11 patents. 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-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
EP-2438078-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIVERSITY OF KANSAS (US) 2012-04-11 EP disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 US disclosed
WO-2011041593-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 WO disclosed
WO-2010096650-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIVERSITY OF KANSAS (US) 2010-08-26 WO 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

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 MAOB 3684/4885MAOA 4696/4885KMT2A 2875/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 MAOB 3983/4885MAOA 4780/4885KMT2A 3361/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD MAOB 1261/4885MAOA 3086/4885KMT2A 3824/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 MAOB 4744/4885MAOA 4863/4885KMT2A 4044/4885

“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.