SCHEMBL1008737

SCHEMBL1008737

Cc1ccc(Br)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CA12 O43570 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
SCHEMBL31021765 1.00 HPGD (0.49) HPGDCYP1A2CYP2C19CYP2C9NPC1
SCHEMBL24509457 0.87 AAK1 (0.48) CYP1A2CYP2C9NPC1RAB9AMEN1
SCHEMBL1008033 0.87 RAB9A (0.54) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL6875690 0.85 CA12 (0.45) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL1007277 0.84 KCNQ4 (0.45) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL20339041 0.84 NPC1 (0.39) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL31568826 0.84 HSP90AA1 (0.45) CYP2C9RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1010291 0.84 HSP90AA1 (0.45) CYP2C9RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4568018 0.83 NLRP3 (0.55) HPGDCYP1A2CYP2C19CYP2C9RAB9A
SCHEMBL1007579 0.83 KMT2A (0.45) HPGDNPC1RAB9AMEN1HTT

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 56 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
US-9950062-B2 Compounds and compositions as TLR activity modulators GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-04-24 US disclosed
US-9950062-B2 Compounds and compositions as TLR activity modulators GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-04-24 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-9597326-B2 Benzonapthyridine compositions and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-03-21 US disclosed
US-9597326-B2 Benzonapthyridine compositions and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-03-21 US disclosed
EP-2473508-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2017-03-08 EP disclosed
EP-2473508-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2017-03-08 EP disclosed
WO-2011027222-A2 IMMUNOGENIC COMPOSITIONS INCLUDING TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2011-03-10 WO disclosed
WO-2011027222-A2 IMMUNOGENIC COMPOSITIONS INCLUDING TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2011-03-10 WO disclosed
US-20110053893-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-03-03 US disclosed
US-20110053893-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-03-03 US disclosed
US-20110053893-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-03-03 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-2010009277-A9 IMMUNOGENIC AMPHIPATHIC PEPTIDE COMPOSITIONS NOVARTIS AG (CH) 2010-03-25 WO disclosed
WO-2010009277-A2 IMMUNOGENIC AMPHIPATHIC PEPTIDE COMPOSITIONS NOVARTIS AG (CH) 2010-01-21 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 (2 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-20110053893-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR1, TLR6, TLR7 HPGD 2778/4885CYP1A2 4833/4885CYP2C19 4615/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 HPGD 1455/4885CYP1A2 2132/4885CYP2C19 2692/4885

“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.