SCHEMBL1607944

SCHEMBL1607944

Cc1c(OCCCN(C)C)ccc2cc(NC(=O)OCc3ccccc3)c(=O)oc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.53
MAOA P21397 3/20 0.49
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
KMT2A Q03164 2/20 0.41
HRH1 P35367 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1608160 0.95 MAOB (0.54) MAOBMAOANPC1RAB9AHSP90AA1
SCHEMBL18121303 0.89 MAOB (0.55) MAOBMAOANPC1RAB9AHSP90AA1
SCHEMBL1608302 0.85 MAOB (0.57) MAOBMAOANPC1RAB9AHSP90AA1
SCHEMBL1607267 0.82 MAOB (0.65) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL6934405 0.82 MAOB (0.65) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL31435801 0.82 MAOB (0.65) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL1607940 0.79 MAOA (0.43) MAOBMAOAKMT2AHRH1MEN1
SCHEMBL1608294 0.79 MAOB (0.56) MAOBMAOANPC1RAB9AKMT2A
SCHEMBL18121302 0.78 CHRM3 (0.49) MAOBMAOAHSP90AA1HSP90AB1
SCHEMBL1606549 0.78 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 7 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 MAOB 3983/4885MAOA 4780/4885NPC1 1183/4885
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.