SCHEMBL2170079

SCHEMBL2170079

[O]C(=O)c1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ACP1 P24666 1/20 0.44
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
ALOX5 P09917 4/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL30410721 0.86 CYP3A4 (0.52) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL180797 0.86 CYP3A4 (0.65) CYP3A4SMN1; SMN2MEN1KMT2ACES1
SCHEMBL91278 0.85 TP53 (0.55) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL15054592 0.85 TP53 (0.55) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL362241 0.83 ALDH1A1 (0.56) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL1928079 0.83 ALDH1A1 (0.56) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL16951368 0.81 CYP3A4 (0.46) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL6582839 0.80 CYP3A4 (0.46) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL11810790 0.79 CYP3A4 (0.49) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL583571 0.79 MEN1 (0.55) CYP3A4SMN1; SMN2MEN1KMT2AACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis LIPOSCIENCES, LLC (US) 2018-07-17 US disclosed
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2017-08-10 US disclosed
EP-3067359-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE Petersen, Scott G. (US) 2016-09-14 EP disclosed
US-20140329775-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2014-11-06 US disclosed
US-20110294869-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE TRAVERSA THERAPEUTICS, INC. (US) 2011-12-01 US disclosed
EP-2346883-A2 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE Traversa Therapeutics, Inc. (US) 2011-07-27 EP disclosed
WO-2010039543-A2 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE TRAVERSA THERAPEUTICS, INC. (US) 2010-04-08 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 (4 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-20140329775-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL CYP3A4 4878/4885SMN1; SMN2 567/4885MEN1 3597/4885
US-20110294869-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL CYP3A4 4878/4885SMN1; SMN2 567/4885MEN1 3597/4885
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis NCL, PHOSPHO1, POLN CYP3A4 4881/4885SMN1; SMN2 543/4885MEN1 3892/4885
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL CYP3A4 4878/4885SMN1; SMN2 567/4885MEN1 3597/4885

“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.