SCHEMBL6828146

SCHEMBL6828146

COC(=O)c1cc(C)cc([N+](=O)[O-])c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.52
PDGFRB P09619 1/20 0.51
FGFR1 P11362 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT1 P17948 1/20 0.51
FGFR3 P22607 1/20 0.51
KDR P35968 1/20 0.51
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SIRT6 Q8N6T7 1/20 0.45
TSHR P16473 2/20 0.44
VCAM1 P19320 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL11067071 0.87 GPR35 (0.62) GPR35PDGFRBFGFR1PDGFRAFLT1
SCHEMBL28051861 0.87 GPR35 (0.49) GPR35PDGFRBFGFR1PDGFRAFLT1
SCHEMBL31615758 0.86 PDGFRB (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL505591 0.85 PDGFRB (0.48) GPR35PDGFRBFGFR1PDGFRAFLT1
SCHEMBL5628047 0.85 KMT2A (0.56) GPR35PDGFRBFGFR1PDGFRAFLT1
SCHEMBL13280358 0.85 PDGFRB (0.50) GPR35PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2043408 0.83 MEN1 (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13280155 0.83 PDGFRB (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL15700375 0.83 PDGFRB (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1335411 0.83 PDGFRB (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 EP disclosed
US-20180072702-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2018-03-15 US disclosed
US-9643979-B2 Inhibitors of DNA gyrase for the treatment of bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-05-09 US disclosed
US-9637472-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-05-02 US disclosed
US-9206157-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-12-08 US disclosed
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR, AJAY, DR. (GB) 2015-10-08 US disclosed
US-20150266854-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-09-24 US disclosed
EP-2906216-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS Vitas Pharma Research Private Limited (IN) 2015-08-19 EP disclosed
US-20150065483-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-03-05 US disclosed
US-8962620-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-02-24 US disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 US disclosed
WO-2014057415-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PVT LTD (IN) 2014-04-17 WO disclosed
US-20140057891-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-02-27 US disclosed
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 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 (6 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-20150065483-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 GPR35 413/4885PDGFRB 1164/4885FGFR1 299/4885
US-20180072702-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 GPR35 413/4885PDGFRB 1164/4885FGFR1 299/4885
US-20140057891-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 GPR35 413/4885PDGFRB 1164/4885FGFR1 299/4885
US-20150266854-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 GPR35 413/4885PDGFRB 1164/4885FGFR1 299/4885
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 GPR35 4260/4885PDGFRB 3774/4885FGFR1 3185/4885
US-20140142083-A1 Substituted Benzene Compounds CYP1B1, TP53, VHL GPR35 1835/4885PDGFRB 1212/4885FGFR1 1645/4885

“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.