Sugi Predict

Sugi Predict / Compounds / SCHEMBL2089395

SCHEMBL2089395

SCHEMBL2089395

CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C4CCN(C(=O)OCc5ccccc5)CC4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.61
▸ MAOA P21397 5/20 0.61
▸ PTGS1 P23219 2/20 0.61
▸ SDHA P31040 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ CALML3 P27482 1/20 0.61
▸ F10 P00742 6/20 0.48
▸ TOP2B Q02880 1/20 0.47

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
SCHEMBL2089448 1.00 MAOB (0.61) MAOBMAOAPTGS1SDHALMNA
SCHEMBL1498671 0.93 MAOB (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5323788 0.93 MAOB (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL2089382 0.90 TMEM97 (0.47) MAOBMAOAPTGS1SDHALMNA
SCHEMBL4173980 0.88 MAOA (0.60) MAOBMAOAPTGS1SDHALMNA
SCHEMBL13945012 0.88 MAOA (0.60) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7833227 0.86 MAOA (0.61) MAOBMAOAPTGS1SDHALMNA
SCHEMBL2087620 0.86 MAOA (0.55) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10151500 0.86 MAOA (0.63) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6396672 0.86 MAOA (0.54) MAOBMAOAPTGS1SDHALMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329908-B2 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-12-11 — — US disclosed
US-20110059946-A1 DUAL ACTION ANTIBIOTICS MORPHOCHEM AKTIENGESELLSCHAFT FUER KOMBINATORISCHE CHEMIE (DE) 2011-03-10 — — US disclosed
US-7820823-B2 Dual action antibiotics Morphochem Aktiengesellschaft Fur Kominatorische Chemi (DE) 2010-10-26 — — US disclosed
US-20050096343-A1 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2005-05-05 — — US disclosed
EP-1432705-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-06-30 — — EP disclosed
WO-2003032962-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-24 — — WO disclosed
WO-2003031443-A1 DUAL ACTIONS ANTIBIOTICS COMPRISING A OXAZOLDINONE AND A QUINOLONE OR NAPHTHYRIDINONE MOIETY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-17 — — WO disclosed
WO-2003031441-A1 MULTIPLE ACTION COMPOUNDS MORPHOCHEN AKTIENGESELLSCHAFT FÜR KOMBINATORISCHE CHEMIE (DE) 2003-04-17 — — 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-20050096343-A1 Dual action antibiotics SLC11A2, MRPL21, MAP2K5 MAOB 1198/4885MAOA 905/4885PTGS1 1655/4885
US-20110059946-A1 DUAL ACTION ANTIBIOTICS SLC11A2, MRPL21, MAP2K5 MAOB 1261/4885MAOA 978/4885PTGS1 1428/4885

“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.