SCHEMBL13035568

SCHEMBL13035568

O=Cc1cccc(OCNC(=O)OCc2ccccc2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.43
TGM2 P21980 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
SRC P12931 1/20 0.41
MAPT P10636 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MGLL Q99685 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 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
SCHEMBL3446213 0.87 HTT (0.52) LMNASMN1; SMN2L3MBTL1HTTTGM2
SCHEMBL8305004 0.80 CCNB2 (0.58) LMNASMN1; SMN2L3MBTL1HTTPTGDR2
SCHEMBL13035536 0.78 KDM4E (0.39) SMN1; SMN2L3MBTL1HTTPTGDR2ALDH1A1
SCHEMBL13035565 0.78 L3MBTL1 (0.40) LMNASMN1; SMN2L3MBTL1HTTTGM2
SCHEMBL13035481 0.76 CCNB2 (0.46) LMNASMN1; SMN2L3MBTL1HTTPTGDR2
SCHEMBL3446508 0.74 ALDH1A1 (0.49) LMNASMN1; SMN2L3MBTL1HTTPTGDR2
SCHEMBL3445741 0.74 ALDH1A1 (0.49) LMNASMN1; SMN2L3MBTL1HTTPTGDR2
SCHEMBL16446797 0.73 SRC (0.43) LMNASMN1; SMN2L3MBTL1HTTPTGDR2
SCHEMBL4350483 0.72 PTGDR2 (0.71) LMNASMN1; SMN2L3MBTL1HTTPTGDR2
SCHEMBL456650 0.71 PTGDR2 (0.46) LMNASMN1; SMN2L3MBTL1HTTPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 LMNA 4338/4885SMN1; SMN2 3437/4885L3MBTL1 395/4885
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 LMNA 4338/4885SMN1; SMN2 3437/4885L3MBTL1 395/4885
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 LMNA 3968/4885SMN1; SMN2 3017/4885L3MBTL1 305/4885

“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.