SCHEMBL1625296

SCHEMBL1625296

CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc(CCO)cc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 5/20 0.45
MERTK Q12866 1/20 0.45
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 4/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
BCL6 P41182 1/20 0.40
BCOR Q6W2J9 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 3/20 0.38
NPC1 O15118 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
SCHEMBL1626378 0.87 MERTK (0.42) ALDH3A1MERTKALDH1A1KMT2ALMNA
SCHEMBL1625292 0.86 MERTK (0.52) MERTKKMT2ALMNAMAPTSMN1; SMN2
SCHEMBL1624955 0.85 MERTK (0.61) MERTKKMT2ALMNAMAPTSMN1; SMN2
SCHEMBL1625758 0.81 ALDH3A1 (0.67) ALDH3A1ALDH1A1KMT2ALMNAMAPT
SCHEMBL1626563 0.81 TDP1 (0.39) ALDH1A1KMT2ALMNAMAPTL3MBTL1
SCHEMBL1625931 0.81 KMT2A (0.46) MERTKALDH1A1KMT2ALMNAMAPT
SCHEMBL1625287 0.79 MERTK (0.44) ALDH3A1MERTKALDH1A1KMT2ALMNA
SCHEMBL1625606 0.79 KMT2A (0.44) MERTKALDH1A1KMT2ALMNAMAPT
SCHEMBL1624455 0.79 MERTK (0.46) MERTKALDH1A1KMT2ALMNAMAPT
SCHEMBL1625308 0.79 MERTK (0.57) MERTKKMT2ALMNAMAPTSMN1; SMN2

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 13 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
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
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

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 ALDH3A1 2098/4885MERTK 4820/4885ALDH1A1 588/4885
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 ALDH3A1 1918/4885MERTK 1693/4885ALDH1A1 1858/4885
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 ALDH3A1 1918/4885MERTK 1693/4885ALDH1A1 1858/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 ALDH3A1 2188/4885MERTK 4824/4885ALDH1A1 632/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES ALDH3A1 1715/4885MERTK 4666/4885ALDH1A1 798/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 ALDH3A1 1725/4885MERTK 2132/4885ALDH1A1 1286/4885

“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.