SCHEMBL5019545

SCHEMBL5019545

CCCCCOc1cccc2c1B(O)OC2C[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
LARS1 Q9P2J5 2/20 0.34

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
SCHEMBL16706966 0.97 TP53 (0.35) NPSR1LARS1
SCHEMBL5019552 0.97 TP53 (0.35) NPSR1LARS1
SCHEMBL16706967 0.97 TP53 (0.35) NPSR1LARS1
SCHEMBL15077375 0.93 HTR2C (0.35) HTR2BLARS1
SCHEMBL13073614 0.93 TP53 (0.33) LMNANPSR1LARS1
SCHEMBL13073748 0.93 TP53 (0.33) LMNANPSR1LARS1
SCHEMBL13074078 0.93 TP53 (0.33) LMNANPSR1LARS1
SCHEMBL15075004 0.92 ALDH1A1 (0.37) LMNAMEN1CYP3A4KMT2A
SCHEMBL13073689 0.89 PLA2G4B (0.32) LARS1
SCHEMBL3446400 0.89

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-20170355719-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-12-14 US disclosed
US-9751898-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 US 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 (3 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-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX LMNA 3088/4885MAPT 2926/4885MEN1 678/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX LMNA 3088/4885MAPT 2926/4885MEN1 678/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX LMNA 3088/4885MAPT 2926/4885MEN1 678/4885

“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.