SCHEMBL1007873

SCHEMBL1007873

CC(C)(C)OC(=O)N(Br)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.42
CES2 O00748 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53BP1 Q12888 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL440958 0.84 RXFP1 (0.43) RXFP1CES2NPSR1TP53LTB4R2
SCHEMBL5802953 0.83 RXFP1 (0.42) RXFP1CES2NPSR1TP53LTB4R2
SCHEMBL29042373 0.83 RXFP1 (0.42) RXFP1CES2NPSR1TP53LTB4R2
SCHEMBL1007280 0.82 HDAC1 (0.42) CES2LTB4R2ALDH1A1SMN1; SMN2HDAC1
SCHEMBL1006925 0.81 CYP3A4 (0.40) HSD17B1HSD17B2MEN1KMT2AALDH1A1
SCHEMBL6011961 0.80 CES2 (0.47) CES2NPSR1TP53HSD17B1HSD17B2
SCHEMBL1010292 0.79 MT-CO2 (0.40) NPSR1HSD17B1HSD17B2ALDH1A1SMN1; SMN2
SCHEMBL20339042 0.79 SCN2A (0.39) MEN1KMT2ATP53BP1
SCHEMBL4632782 0.79 MEN1 (0.44) RXFP1NPSR1LTB4R2HSD17B1HSD17B2
SCHEMBL4499074 0.79 LTB4R2 (0.45) RXFP1NPSR1LTB4R2MEN1KMT2A

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 23 patents — showing the first 20. 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
EP-2440245-B1 BENZONAPHTHYRIDINE-CONTAINING VACCINES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-12-06 EP disclosed
EP-2512478-B1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-04-19 EP disclosed
US-9597326-B2 Benzonapthyridine compositions and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-03-21 US disclosed
US-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-12-29 US disclosed
US-9517263-B2 Benzonaphthyridine-containing vaccines GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-12-13 US disclosed
US-9408907-B2 Homogenous suspension of immunopotentiating compounds and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-08-09 US disclosed
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 EP 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
EP-2558069-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF Novartis AG (CH) 2013-02-20 EP disclosed
EP-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 EP disclosed
US-20120263753-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2012-10-18 US disclosed
EP-2440245-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES Novartis AG (CH) 2012-04-18 EP disclosed
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 WO disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 WO 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-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 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 (5 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 RXFP1 205/4885CES2 2711/4885NPSR1 2053/4885
US-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF CD14, ICOS, CD69 RXFP1 3663/4885CES2 3167/4885NPSR1 2281/4885
US-20120263753-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES LY96, TLR3, GABRA4 RXFP1 2596/4885CES2 1679/4885NPSR1 103/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 RXFP1 205/4885CES2 2711/4885NPSR1 2053/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 RXFP1 3410/4885CES2 1660/4885NPSR1 540/4885

“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.