SCHEMBL6934405

SCHEMBL6934405

Cc1ccc2cc(NC(=O)OCc3ccccc3)c(=O)oc2c1C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.65
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAOA P21397 2/20 0.52
MGLL Q99685 2/20 0.47
FAAH O00519 1/20 0.47
KMT2A Q03164 2/20 0.44
PLAU P00749 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.42
F10 P00742 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
CASP3 P42574 1/20 0.42

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 0.91 MAOB (0.65) MAOBNPC1RAB9AMAOAMGLL
SCHEMBL31435801 0.91 MAOB (0.65) MAOBNPC1RAB9AMAOAMGLL
SCHEMBL1608302 0.85 MAOB (0.57) MAOBNPC1RAB9AMAOAMGLL
SCHEMBL18121303 0.83 MAOB (0.55) MAOBNPC1RAB9AMAOAMGLL
SCHEMBL1607576 0.83 MAOB (0.62) MAOBNPC1RAB9AMAOAMGLL
SCHEMBL1607264 0.83 MAOB (0.62) MAOBNPC1RAB9AMAOAMGLL
SCHEMBL1608160 0.82 MAOB (0.54) MAOBNPC1RAB9AMAOAKMT2A
SCHEMBL1606549 0.82 MAOB (0.59) MAOBNPC1RAB9AMAOAMGLL
SCHEMBL1607944 0.82 MAOB (0.53) MAOBNPC1RAB9AMAOAKMT2A
SCHEMBL6935278 0.81 MAOB (0.58) MAOBNPC1RAB9AMAOAMGLL

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 3 patents. 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-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-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 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 (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 3983/4885NPC1 1183/4885RAB9A 3026/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 MAOB 4744/4885NPC1 1708/4885RAB9A 2463/4885

“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.