SCHEMBL1498671

SCHEMBL1498671

CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.67
MAOA P21397 5/20 0.67
PTGS1 P23219 2/20 0.67
SDHA P31040 2/20 0.67
LMNA P02545 1/20 0.67
CALML3 P27482 1/20 0.67
F10 P00742 6/20 0.53
TOP2B Q02880 1/20 0.53

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
SCHEMBL5323788 1.00 MAOB (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL4173980 0.94 MAOA (0.60) MAOBMAOAPTGS1SDHALMNA
SCHEMBL13945012 0.94 MAOA (0.60) MAOBMAOAPTGS1SDHALMNA
SCHEMBL2089448 0.93 MAOB (0.61) MAOBMAOAPTGS1SDHALMNA
SCHEMBL2089395 0.93 MAOB (0.61) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7833227 0.91 MAOA (0.61) MAOBMAOAPTGS1SDHALMNA
SCHEMBL10151500 0.91 MAOA (0.63) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5725604 0.91 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5725608 0.91 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6229500 0.91 MAOB (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124597-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-26 US disclosed
WO-2011037731-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-03-31 WO disclosed
WO-2011037731-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-03-31 WO disclosed
WO-2007138381-A2 PHOSPHONATED OXAZOLIDINONES AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-12-06 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-20110124597-A1 BORON CONTAINING SMALL MOLECULES BCL6B, BCL6, BLVRB MAOB 1879/4885MAOA 4479/4885PTGS1 4357/4885

“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.