SCHEMBL1623739

SCHEMBL1623739

COc1ccc(Nc2ccc(CCO)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.67
AKR1C2 P52895 4/20 0.67
MAPT P10636 8/20 0.62
MAPK1 P28482 3/20 0.62
ALDH1A1 P00352 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
AKR1B10 O60218 1/20 0.57
AKR1B1 P15121 1/20 0.57
AKR1C4 P17516 1/20 0.57
AKR1C1 Q04828 1/20 0.57
ALDH3A1 P30838 1/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.51

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
SCHEMBL1625601 0.90 AKR1C3 (0.54) AKR1C3AKR1C2MAPTMAPK1ALDH1A1
SCHEMBL6387518 0.87 AKR1C3 (0.65) AKR1C3AKR1C2MAPTMAPK1ALDH1A1
SCHEMBL1627016 0.84 LMNA (0.56) AKR1C3AKR1C2MAPTMAPK1ALDH1A1
SCHEMBL1625757 0.82 KMT2A (0.64) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL14656691 0.82 MAPT (0.84) AKR1C3AKR1C2MAPTMAPK1ALDH1A1
SCHEMBL1625390 0.81 ALDH3A1 (0.52) AKR1C3AKR1C2MAPTMAPK1ALDH1A1
SCHEMBL1624580 0.81 L3MBTL1 (0.64) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL1626713 0.81 KMT2A (0.51) AKR1C3AKR1C2MAPTMAPK1ALDH1A1
SCHEMBL4575162 0.81 AKR1C3 (0.70) AKR1C3AKR1C2MAPTMAPK1ALDH1A1
SCHEMBL11516026 0.81 AKR1C3 (0.70) AKR1C3AKR1C2MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1499305-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES Pfizer Japan Inc. (JP) 2005-01-26 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 (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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 AKR1C3 1214/4885AKR1C2 1352/4885MAPT 3250/4885
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 AKR1C3 1251/4885AKR1C2 1575/4885MAPT 4402/4885
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 AKR1C3 1251/4885AKR1C2 1575/4885MAPT 4402/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 AKR1C3 1272/4885AKR1C2 1420/4885MAPT 3288/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES AKR1C3 510/4885AKR1C2 948/4885MAPT 3806/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 AKR1C3 1151/4885AKR1C2 1868/4885MAPT 4854/4885

“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.