Sugi Predict

Sugi Predict / Compounds / SCHEMBL1006925

SCHEMBL1006925

SCHEMBL1006925

Cc1cccc(N(Br)C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B1 P14061 7/20 0.40
▸ HSD17B2 P37059 7/20 0.40
▸ LMNA P02545 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ F2 P00734 1/20 0.35

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
SCHEMBL22670302 0.84 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL1007280 0.83 HDAC1 (0.42) LMNABRD4NPC1ALDH1A1HTT
SCHEMBL1010292 0.83 MT-CO2 (0.40) CYP2C19HSD17B1HSD17B2BRD4NPC1
SCHEMBL20339042 0.83 SCN2A (0.39) BRD4NPC1HTTRAB9APAX8
SCHEMBL10210873 0.83 BRD4 (0.52) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL1007582 0.82 MTNR1A (0.44) HSD17B1HSD17B2
SCHEMBL21681359 0.81 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL3407971 0.81 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL27554186 0.81 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL1007873 0.81 RXFP1 (0.42) CYP3A4CYP2C19HSD17B1HSD17B2ALDH1A1

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 38 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
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
EP-2473508-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2017-03-08 — — EP 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
US-20150225432-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-08-13 — — US disclosed
WO-2011049677-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-28 — — WO disclosed
EP-2313085-A2 IMMUNOGENIC AMPHIPATHIC PEPTIDE COMPOSITIONS Novartis AG (CH) 2011-04-27 — — EP disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 — — US 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
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 (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-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF CD14, ICOS, CD69 CYP3A4 2872/4885CYP2C9 3920/4885CYP2C19 2586/4885
US-20150225432-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR1, TLR6, TLR7 CYP3A4 4745/4885CYP2C9 4765/4885CYP2C19 4615/4885
US-20110053893-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR1, TLR6, TLR7 CYP3A4 4745/4885CYP2C9 4765/4885CYP2C19 4615/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 CYP3A4 2619/4885CYP2C9 3509/4885CYP2C19 3803/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 CYP3A4 729/4885CYP2C9 3263/4885CYP2C19 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.