SCHEMBL1758043

SCHEMBL1758043

Clc1ccc(/C=C/c2ccc(Br)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.58
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 2/20 0.48
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NFE2L2 Q16236 1/20 0.47
GPR183 P32249 2/20 0.46
HSD17B10 Q99714 2/20 0.46
FBP1 P09467 1/20 0.45
HDAC2 Q92769 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL1758044 1.00 AHR (0.58) AHRKDM4EALDH1A1HPGDCYP2C19
SCHEMBL10422570 0.90 HDAC2 (0.55) AHRKDM4EALDH1A1HPGDCYP2C19
SCHEMBL9805475 0.89 AHR (0.48) AHRKDM4EALDH1A1HPGDCYP2C19
SCHEMBL9805486 0.89 AHR (0.48) AHRKDM4EALDH1A1HPGDCYP2C19
SCHEMBL1882464 0.86 ALDH1A1 (0.61) KDM4EALDH1A1HPGDCYP2C19RAB9A
SCHEMBL3373054 0.86 ALDH1A1 (0.61) KDM4EALDH1A1HPGDCYP2C19RAB9A
SCHEMBL2577996 0.86 ALDH1A1 (0.61) KDM4EALDH1A1HPGDCYP2C19RAB9A
SCHEMBL391122 0.86 ALDH1A1 (0.61) KDM4EALDH1A1HPGDCYP2C19RAB9A
SCHEMBL9679607 0.86 ALDH1A1 (0.61) KDM4EALDH1A1HPGDCYP2C19RAB9A
SCHEMBL9679616 0.86 ALDH1A1 (0.61) KDM4EALDH1A1HPGDCYP2C19RAB9A

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 26 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-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
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-20090192158-A1 Methods for Treating or Preventing Neoplasias MERCK FROSST CANADA LTD. (CA) 2009-07-30 US disclosed
EP-1989187-A4 2-(PHENYL OR HETEROCYCLIC) - 1H-PHENANTHRO (9,10-D) IMIDAZOLES MERCK FROSST CANADA LTD (CA) 2009-07-08 EP disclosed
US-20090111997-A1 Method of Generating Amorphous Solid for Water-Insoluble Pharmaceuticals MERCK SHARP & DOHME CORP. 2009-04-30 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
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-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-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
EP-0391212-B1 Process for preparing bifunctional Z-stilbene compounds, new bifunctional Z-stilbene compounds and their use for preparing polymers BAYER AG (DE) 1994-05-25 EP disclosed
US-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
EP-0391212-A2 Process for preparing bifunctional Z-stilbene compounds, new bifunctional Z-stilbene compounds and their use for preparing polymers BAYER AG (DE) 1990-10-10 EP 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 (4 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 AHR 78/4885KDM4E 1563/4885ALDH1A1 95/4885
US-20090192158-A1 Methods for Treating or Preventing Neoplasias GSTO1, PTGS1, PTGES AHR 711/4885KDM4E 2418/4885ALDH1A1 78/4885
US-20090111997-A1 Method of Generating Amorphous Solid for Water-Insoluble Pharmaceuticals WDR33, POLR2H, NSF AHR 1506/4885KDM4E 2110/4885ALDH1A1 3974/4885
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 AHR 167/4885KDM4E 1799/4885ALDH1A1 165/4885

“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.