SCHEMBL1625709

SCHEMBL1625709

CC(=O)c1cnc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MAPK1 P28482 3/20 0.44
POLB P06746 2/20 0.44
VCAM1 P19320 2/20 0.44
PDE7A Q13946 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
USP7 Q93009 1/20 0.40
USP47 Q96K76 1/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TTR P02766 1/20 0.39
LMNA P02545 2/20 0.39
CASP6 P55212 1/20 0.39
RAF1 P04049 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
PAX8 Q06710 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
SCHEMBL28350595 0.85 MAPT (0.40) MAPTMAPK1POLBVCAM1ALDH1A1
SCHEMBL487379 0.85 CASP6 (0.51) MAPTMAPK1POLBVCAM1ALDH1A1
SCHEMBL30305536 0.85 VCAM1 (0.45) MAPTMAPK1POLBVCAM1ALDH1A1
SCHEMBL31090135 0.85 CASP6 (0.51) MAPTMAPK1POLBVCAM1ALDH1A1
SCHEMBL2368685 0.85 VCAM1 (0.45) MAPTMAPK1POLBVCAM1ALDH1A1
SCHEMBL805262 0.83 PARP1 (0.49) MAPTMAPK1POLBVCAM1ALDH1A1
SCHEMBL27579828 0.83 MAPT (0.41) MAPTMAPK1POLBVCAM1ALDH1A1
SCHEMBL70813 0.83 MAPT (0.63) MAPTMAPK1POLBVCAM1ALDH1A1
SCHEMBL13670358 0.81 VCAM1 (0.41) MAPTMAPK1POLBVCAM1ALDH1A1
SCHEMBL12709581 0.80 PDE7A (0.43) MAPTMAPK1POLBVCAM1PDE7A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562060-B2 Heterocyclic pyridone compound, and intermediate, preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2017-02-07 US disclosed
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2014-07-24 US disclosed
US-7928119-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2011-04-19 US disclosed
US-7479564-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC. (JP) 2009-01-20 US disclosed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 US disclosed
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PFIZER INC. 2007-03-22 US disclosed
US-7148234-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2006-12-12 US disclosed
US-7141580-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2006-11-28 US disclosed
EP-1666480-A1 Aryl or Heteroaryl Fused Imidazole Compounds as intermediates for Anti-Inflammatory And Analgesic Agents. PFIZER PHARMACEUTICALS INC. (JP) 2006-06-07 EP disclosed
EP-1326864-B1 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMA (JP) 2006-03-15 EP disclosed
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 US disclosed
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 US disclosed
WO-2003086371-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 US disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 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 (7 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 MAPT 3250/4885MAPK1 1055/4885POLB 4693/4885
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 MAPT 4402/4885MAPK1 3253/4885POLB 3987/4885
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 MAPT 4402/4885MAPK1 3253/4885POLB 3987/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 MAPT 3288/4885MAPK1 1069/4885POLB 4686/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES MAPT 3806/4885MAPK1 2319/4885POLB 4702/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 MAPT 4854/4885MAPK1 1556/4885POLB 3961/4885
US-20140206679-A1 HETEROCYCLIC PYRIDONE COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF MET, PDXK, FLT3 MAPT 2852/4885MAPK1 204/4885POLB 3425/4885

“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.