SCHEMBL1009055

SCHEMBL1009055

N#Cc1c(Br)ccc[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
HSP90AA1 P07900 1/20 0.38
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
BLM P54132 2/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
ABCC1 P33527 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC8 Q9BY41 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL31559509 0.75 TSHR (0.40) MAPTHTTLMNAALDH1A1BLM
SCHEMBL7844027 0.75 DYRK1A (0.34) MAPTHTTLMNAALDH1A1BLM
SCHEMBL1432084 0.75 TSHR (0.40) MAPTHTTLMNAALDH1A1BLM
SCHEMBL31121849 0.71 CA12 (0.38) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL11865950 0.70
SCHEMBL11916708 0.69
SCHEMBL10507114 0.67 GAA (0.39) MAPTLMNAALDH1A1BLMGMNN
SCHEMBL20501878 0.67 MAPT (0.39) MAPTHTTHSP90AA1ALDH1A1BLM
SCHEMBL15528571 0.67
SCHEMBL2084320 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-22 US disclosed
US-9597326-B2 Benzonapthyridine compositions and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-03-21 US disclosed
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 EP disclosed
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 EP disclosed
CN-102015651-B Compounds and compositions as TLR activity modulators IRM LLC 2014-12-31 CN disclosed
US-8895577-B2 Compounds and compositions as TLR activity modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-11-25 US disclosed
US-8895577-B2 Compounds and compositions as TLR activity modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-11-25 US disclosed
US-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-26 US disclosed
US-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-26 US disclosed
US-8466167-B2 Compounds and compositions as TLR activity modulators IRM LLC (BM) 2013-06-18 US disclosed
US-20130122042-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2013-05-16 US disclosed
EP-2558069-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF Novartis AG (CH) 2013-02-20 EP disclosed
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 WO disclosed
CN-102015651-A Compounds and compositions as TLR activity modulators IRM LLC 2011-04-13 CN disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 US disclosed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 WO disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 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-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 MAPT 3776/4885HTT 4336/4885HSP90AA1 3777/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 MAPT 3776/4885HTT 4336/4885HSP90AA1 3777/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 MAPT 1908/4885HTT 1445/4885HSP90AA1 192/4885
US-20130122042-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 MAPT 1908/4885HTT 1445/4885HSP90AA1 192/4885

“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.