SCHEMBL1498683

SCHEMBL1498683

O=C(OCc1ccccc1)N1CCN(c2ccc(N3CC(CO)OC3=O)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.53
MAOA P21397 3/20 0.53
CALML3 P27482 5/20 0.52
F10 P00742 5/20 0.49
LMNA P02545 2/20 0.49
PTGS1 P23219 1/20 0.49
SDHA P31040 1/20 0.49
GRM5 P41594 1/20 0.48
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5327254 1.00 MAOB (0.53) MAOBMAOACALML3F10LMNA
SCHEMBL2089382 0.93 TMEM97 (0.47) MAOBMAOACALML3F10LMNA
SCHEMBL5417793 0.92 MAOB (0.53) MAOBMAOACALML3F10LMNA
SCHEMBL1498789 0.92 MAOB (0.53) MAOBMAOACALML3F10LMNA
SCHEMBL12665684 0.92 MAOB (0.56) MAOBMAOACALML3F10LMNA
SCHEMBL7831660 0.90 CALML3 (0.51) MAOBMAOACALML3F10LMNA
SCHEMBL26771622 0.90 MAPT (0.47) MAOBMAOACALML3F10LMNA
SCHEMBL3044244 0.89 MAOB (0.49) MAOBMAOACALML3F10LMNA
SCHEMBL5323788 0.88 MAOB (0.67) MAOBMAOACALML3F10LMNA
SCHEMBL5412842 0.88 MAOB (0.53) MAOBMAOACALML3F10LMNA

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-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-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 4479/4885CALML3 3650/4885

“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.