SCHEMBL1758249

SCHEMBL1758249

Brc1ccc2ccc3ccc(OCCC4CC4)cc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.42
MAOB P27338 2/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
MCHR1 Q99705 1/20 0.36
HTR1A P08908 2/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL1758227 0.84 PARP15 (0.51) PARP15PARP10SLC6A2SLC6A4MTNR1A
SCHEMBL4084395 0.83 NFE2L2 (0.54) NFE2L2MCHR1NPSR1HPGDCYP3A4
SCHEMBL1697752 0.80 NFE2L2 (0.56) NFE2L2MAOBHPGD
SCHEMBL1758216 0.76 MAOB (0.56) MAOBSLC6A2SLC6A4CYP2D6
SCHEMBL19647896 0.76 KDM4E (0.59) SLC6A2SLC6A4HPGD
SCHEMBL1758267 0.75 PTGES (0.55) NFE2L2MAOBMTNR1A
SCHEMBL23163613 0.72 NFE2L2 (0.70) NFE2L2HPGD
SCHEMBL1697727 0.72 NFE2L2 (0.44) NFE2L2PARP15PARP10MCHR1
SCHEMBL11310482 0.72 SLC6A2 (0.48) PARP15PARP10SLC6A2SLC6A4MTNR1A
SCHEMBL386371 0.71 NFE2L2 (0.54) NFE2L2MAOBMCHR1

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 11 patents. 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
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-20090192158-A1 Methods for Treating or Preventing Neoplasias MERCK FROSST CANADA LTD. (CA) 2009-07-30 US disclosed
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2009-03-19 US disclosed
EP-2019675-A1 METHODS FOR TREATING OR PREVENTING NEOPLASIAS Merck Frosst Canada Ltd. (CA) 2009-02-04 EP disclosed
US-7442716-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2008-10-28 US disclosed
EP-1954683-A1 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO(9,10-D)IMIDAZOLES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-08-13 EP disclosed
WO-2007124589-A1 METHODS FOR TREATING OR PREVENTING NEOPLASIAS MERCK FROSST CANADA LTD. (CA) 2007-11-08 WO disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090192158-A1 Methods for Treating or Preventing Neoplasias GSTO1, PTGS1, PTGES NFE2L2 60/4885MAOB 332/4885PARP15 1114/4885
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 NFE2L2 257/4885MAOB 635/4885PARP15 2376/4885
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 NFE2L2 257/4885MAOB 635/4885PARP15 2376/4885

“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.