SCHEMBL1607264

SCHEMBL1607264

CCc1c(O)ccc2cc(NC(=O)OCc3ccccc3)c(=O)oc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.62
MAOA P21397 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 2/20 0.43
PLAU P00749 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
F10 P00742 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MGLL Q99685 2/20 0.41
FAAH O00519 1/20 0.41
ATM Q13315 1/20 0.41
CASP3 P42574 1/20 0.40
TP53 P04637 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
SCHEMBL1607353 0.90 MAOB (0.64) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL31435801 0.87 MAOB (0.65) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL1607267 0.87 MAOB (0.65) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL1607576 0.85 MAOB (0.62) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL1607434 0.84 MAOB (0.64) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL6934405 0.83 MAOB (0.65) MAOBMAOANPC1RAB9AKMT2A
Acetic Acid SCHEMBL28693389 0.78 KMT2A (0.66) MAOBNPC1RAB9AKMT2AMEN1
SCHEMBL1608302 0.77 MAOB (0.57) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL1607693 0.76 MAOB (0.53) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL1606549 0.76 MAOB (0.59) MAOBMAOANPC1RAB9AKMT2A

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 4696/4885NPC1 1827/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 MAOB 3983/4885MAOA 4780/4885NPC1 1183/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD MAOB 1261/4885MAOA 3086/4885NPC1 1141/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 MAOB 4744/4885MAOA 4863/4885NPC1 1708/4885

“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.