SCHEMBL6097937

SCHEMBL6097937

O=C(C=Cc1ccccc1)NCC1CN(c2cccc(F)c2N2CCOCC2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.48
LMNA P02545 1/20 0.48
MAOA P21397 1/20 0.48
PTGS1 P23219 1/20 0.48
CALML3 P27482 1/20 0.48
SDHA P31040 1/20 0.48
F10 P00742 4/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 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
SCHEMBL6097931 1.00 MAOB (0.48) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL3523145 0.89 MAOB (0.47) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL3523141 0.89 MAOB (0.47) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL6097935 0.84 MAOB (0.70) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL16579892 0.84 MAOB (0.70) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL2591003 0.84 MAOB (0.67) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL2406832 0.84 MAOB (0.67) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL2406825 0.84 MAOB (0.67) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL3519820 0.81 MAOB (0.48) MAOBLMNAMAOAPTGS1CALML3
SCHEMBL3519815 0.81 MAOB (0.48) MAOBLMNAMAOAPTGS1CALML3

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-7002020-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY (US) 2006-02-21 US disclosed
US-20050004174-A1 Antibacterial agents GORDEEV MIKHAIL F (US) 2005-01-06 US disclosed
US-6562844-B2 Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
US-6531470-B1 Antimicrobial compounds PHARMACIA & UPJOHN COMPANY 2003-03-11 US disclosed
US-20020183371-A1 Oxazolidinone combinatorial libraries, compositions and methods of preparation GORDEEV MIKHAIL F (US) 2002-12-05 US disclosed
US-6239152-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY 2001-05-29 US disclosed
EP-1049682-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION Versicor, Inc. (US) 2000-11-08 EP disclosed
WO-1999037630-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION VERSICOR, INC. (US) 1999-07-29 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-20020183371-A1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PAICS, CDK4, OXA1L MAOB 1298/4885LMNA 1648/4885MAOA 1267/4885
US-20050004174-A1 Antibacterial agents PAICS, OXA1L, PNKP MAOB 1430/4885LMNA 2373/4885MAOA 858/4885

“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.