SCHEMBL1758285

SCHEMBL1758285

O=C1C(=O)c2ccc(Br)cc2-c2cc(Cl)ccc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 4/20 0.61
▸ PTPRC P08575 1/20 0.59
▸ BCL2 P10415 2/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ PPOX P50336 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HSP90AA1 P07900 2/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CES1 P23141 3/20 0.41
▸ TGM2 P21980 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ USP8 P40818 1/20 0.41
▸ USP7 Q93009 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.40
▸ LCK P06239 1/20 0.40

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
SCHEMBL24730389 0.96 BCL2 (0.57) S100A4PTPRCBCL2MCL1PPOX
SCHEMBL23294517 0.92 S100A4 (0.63) S100A4PTPRCBCL2MCL1PPOX
SCHEMBL29914626 0.92 S100A4 (0.63) S100A4PTPRCBCL2MCL1PPOX
SCHEMBL6884062 0.92 BCL2 (0.62) S100A4PTPRCBCL2MCL1PPOX
SCHEMBL29594014 0.87 S100A4 (0.80) S100A4PTPRCBCL2MCL1HSP90AA1
SCHEMBL11876117 0.87 S100A4 (0.80) S100A4PTPRCPPOXNPC1HSP90AA1
SCHEMBL597375 0.87 S100A4 (0.80) S100A4PTPRCBCL2MCL1HSP90AA1
SCHEMBL29018327 0.85 S100A4 (0.72) S100A4PTPRCBCL2MCL1NPC1
SCHEMBL16659000 0.82 S100A4 (0.90) S100A4PTPRCBCL2MCL1NPC1
SCHEMBL12469932 0.82 S100A4 (0.71) S100A4PTPRCBCL2MCL1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954683-B1 2-(PHENYL OR HETEROCYCLYL)-1H-PHENANTHRO(9,10-D)IMIDAZOLES AS MPGES-1 INHIBITORS MERCK CANADA INC (CA) 2016-03-02 — — EP disclosed
EP-1954683-B1 2-(PHENYL OR HETEROCYCLYL)-1H-PHENANTHRO(9,10-D)IMIDAZOLES AS MPGES-1 INHIBITORS MERCK CANADA INC (CA) 2016-03-02 — — EP disclosed
EP-1828143-B1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD (CA) 2013-03-20 — — EP disclosed
EP-1954134-B1 PROCESS FOR SYNTHESIZING A 2-PHENYL-1H-PHENANTRHO[9,10-D]IMIDAZOLE DERIVATIVE MERCK SHARP & DOHME (US) 2011-09-14 — — EP disclosed
US-7943649-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2011-05-17 — — US disclosed
US-7943649-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2011-05-17 — — US disclosed
US-7943649-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2011-05-17 — — US disclosed
US-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles MERCK & CO., INC. 2009-11-19 — — US disclosed
EP-1828143-A4 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-08-26 — — EP disclosed
US-20090203922-A1 Process for Synthesizing 2-Phenyl-1H-Phenanthro[9,10-d]Imidazole Derivative MERCK SHARP & DOHME CORP. 2009-08-13 — — US disclosed
EP-1828143-A1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2007-09-05 — — EP disclosed
WO-2007095753-A1 2-(PHENYL OR HETEROCYCLIC) - 1H-PHENANTHRO [9,10-D] IMIDAZOLES MERCK FROSST CANADA LTD. (CA) 2007-08-30 — — WO disclosed
WO-2007061853-A2 PROCESS FOR SYNTHESIZING 2-PHENYL-1H-PHENANTRHO[9,10-D]IMIDAZOLE DERIVATIVE MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
WO-2007059610-A1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-05-31 — — WO disclosed
WO-2007059610-A1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-05-31 — — WO disclosed
WO-2007059611-A1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-05-31 — — WO disclosed
WO-2007059611-A1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-05-31 — — WO disclosed
WO-2007061849-A2 METHOD OF GENERATING AMORPHOUS SOLID FOR WATER-INSOLUBLE PHARMACEUTICALS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
WO-2007061849-A2 METHOD OF GENERATING AMORPHOUS SOLID FOR WATER-INSOLUBLE PHARMACEUTICALS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
WO-2006063466-A1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2006-06-22 — — 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 (2 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-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles PTGES, PTGS1, PTGES2 S100A4 2484/4885PTPRC 2890/4885BCL2 4317/4885
US-20090203922-A1 Process for Synthesizing 2-Phenyl-1H-Phenanthro[9,10-d]Imidazole Derivative PTGES, PTGS1, PTGES2 S100A4 3831/4885PTPRC 4128/4885BCL2 4111/4885

“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.

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