SCHEMBL1664751

SCHEMBL1664751

Cc1c(OCCN(C)C)ccc2cc(OC(=O)NCc3ccccc3)c(=O)oc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NCEH1 Q6PIU2 1/20 0.43
MTHFD1 P11586 1/20 0.40
MTHFD2 P13995 1/20 0.40
IGLV6-57 P01721 1/20 0.40
HRH1 P35367 1/20 0.39
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38

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
SCHEMBL1607940 0.95 MAOA (0.43) MAOAMAOBNCEH1IGLV6-57HRH1
SCHEMBL1607632 0.83 TP53 (0.53) MAOAMAOBNCEH1IGLV6-57TP53
SCHEMBL1608160 0.79 MAOB (0.54) MAOAMAOBMTHFD1MTHFD2
SCHEMBL1607944 0.75 MAOB (0.53) MAOAMAOBHRH1
SCHEMBL14064867 0.67 CHRM1 (0.54) ALDH1A1
SCHEMBL18121303 0.67 MAOB (0.55) MAOAMAOB
SCHEMBL8360111 0.66 HTR1B (0.69) NCEH1KDM4EALDH1A1DRD2DRD1
SCHEMBL1607188 0.66 HSP90AA1 (0.57) MAOAMAOBMTHFD1MTHFD2KDM4E
SCHEMBL5559604 0.65 LMNA (0.49) HRH1KDM4EALDH1A1DRD2DRD1
SCHEMBL20169886 0.65 NCEH1 (0.56) NCEH1TP53

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 6 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
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 (1 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 MAOA 4780/4885MAOB 3983/4885NCEH1 1596/4885

“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.