SCHEMBL5019529

SCHEMBL5019529

O=[N+]([O-])CC1OB(O)c2c(OCOCc3ccccc3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD1 P21728 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NT5E P21589 1/20 0.31
PPIA P62937 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL461975 0.90 NAAA (0.33)
SCHEMBL3446369 0.90 NAAA (0.33)
SCHEMBL3447110 0.90 KDM4E (0.32)
SCHEMBL3445785 0.90 NAAA (0.33)
SCHEMBL16447119 0.86 NT5E (0.30) NT5E
SCHEMBL13108459 0.85 DRD1 (0.42) DRD1HTR2CHTR2B
SCHEMBL13035546 0.84 LARS1 (0.33)
SCHEMBL19519476 0.83 HTT (0.32)
SCHEMBL19519705 0.83 DRD1 (0.32) DRD1NT5E
SCHEMBL18053734 0.83 LARS1 (0.35) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044355-A1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-02-15 US disclosed
US-20180037595-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-02-08 US disclosed
US-20160251380-A1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-09-01 US disclosed
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-05-14 US disclosed
US-8895534-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-7816344-B2 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2009-09-10 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 (7 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-20160251380-A1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF CBX2, BRD4, BRD3 POLB 187/4885SENP8 4383/4885SENP7 3634/4885
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 POLB 505/4885SENP8 3280/4885SENP7 3653/4885
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 POLB 505/4885SENP8 3280/4885SENP7 3653/4885
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX POLB 517/4885SENP8 3197/4885SENP7 2950/4885
US-20180037595-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF BRD3, BRPF3, BRD4 POLB 244/4885SENP8 4536/4885SENP7 3620/4885
US-20180044355-A1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF CBX2, BRD4, BRD3 POLB 187/4885SENP8 4383/4885SENP7 3634/4885
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics OXA1L, TLR1, OXER1 POLB 285/4885SENP8 4196/4885SENP7 3210/4885

“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.