SCHEMBL1625817

SCHEMBL1625817

O=[N+]([O-])Nc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MCL1 Q07820 1/20 0.34
MAPK1 P28482 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CRHBP P24387 1/20 0.33

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
SCHEMBL11563326 0.77 TSHR (0.52) TSHRALDH1A1MCL1MAPK1MAPT
SCHEMBL10610192 0.77 KMT2A (0.47) TSHRHSD17B10MCL1MAPK1MAPT
SCHEMBL11293610 0.75 MAPT (0.33) TSHRHSD17B10ALDH1A1MAPK1MAPT
SCHEMBL9818523 0.74 HSD17B10 (0.43) TSHRHSD17B10ALDH1A1MCL1MAPT
SCHEMBL6313709 0.74 CHRNB2 (0.38) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL11565339 0.73 TSHR (0.52) TSHRHSD17B10ALDH1A1MAPK1GPR35
Nitric Acid SCHEMBL20984368 0.72 ALDH1A1 (0.42) TSHRHSD17B10ALDH1A1MAPK1MAPT
SCHEMBL7208909 0.71 MAPK1 (0.49) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL31374378 0.71 MAPK1 (0.49) TSHRALDH1A1MAPK1MAPTMEN1
SCHEMBL6201889 0.70 HSD17B10 (0.50) HSD17B10ALDH1A1MAPTMEN1NPC1

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 17 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
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-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 TSHR 4596/4885HSD17B10 810/4885ALDH1A1 588/4885
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 TSHR 518/4885HSD17B10 1486/4885ALDH1A1 1858/4885
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 TSHR 518/4885HSD17B10 1486/4885ALDH1A1 1858/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 TSHR 4590/4885HSD17B10 851/4885ALDH1A1 632/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES TSHR 3355/4885HSD17B10 402/4885ALDH1A1 798/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 TSHR 351/4885HSD17B10 3134/4885ALDH1A1 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.