SCHEMBL1758758

SCHEMBL1758758

CC(=NO)c1ccc2ccc3ccccc3c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 1.00
CASP3 P42574 1/20 1.00
SENP8 Q96LD8 1/20 1.00
SENP7 Q9BQF6 1/20 1.00
SENP6 Q9GZR1 1/20 1.00
CYP2C19 P33261 2/20 0.71
CYP2D6 P10635 1/20 0.71
MAPT P10636 5/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 5/20 0.53
KDM4E B2RXH2 4/20 0.53
LMNA P02545 3/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 3/20 0.48
HIF1A Q16665 1/20 0.48
CYP1B1 Q16678 1/20 0.48
HTT P42858 2/20 0.47
CYP1A2 P05177 2/20 0.45

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
SCHEMBL1758756 1.00 GFER (1.00) GFERCASP3SENP8SENP7SENP6
SCHEMBL10041971 0.82 CASP3 (0.70) GFERCASP3SENP8SENP7SENP6
SCHEMBL29510116 0.82 CASP3 (0.70) GFERCASP3SENP8SENP7SENP6
SCHEMBL8485793 0.82 CASP3 (0.70) GFERCASP3SENP8SENP7SENP6
SCHEMBL8306489 0.82 CASP3 (0.70) GFERCASP3SENP8SENP7SENP6
SCHEMBL28252406 0.81 CASP3 (0.68) GFERCASP3SENP8SENP7SENP6
SCHEMBL27831966 0.77 CASP3 (0.63) GFERCASP3SENP8SENP7SENP6
SCHEMBL30301801 0.77 ALDH1A1 (0.82) GFERCASP3SENP8SENP7SENP6
SCHEMBL9806289 0.77 CASP3 (0.62) GFERCASP3SENP8SENP7SENP6
SCHEMBL50671 0.77 ALDH1A1 (0.82) GFERCASP3SENP8SENP7SENP6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108822135-A A kind of synthetic method of the cyclosubstituted thieno of azepine [3,2-d] thiazole and its derivative 湘潭大学 2018-11-16 CN claimed
CN-110606855-B Polysubstituted benzothienoisoquinoline, derivative and synthesis method thereof 湘潭大学 2022-03-18 CN disclosed
CN-108822135-A A kind of synthetic method of the cyclosubstituted thieno of azepine [3,2-d] thiazole and its derivative 湘潭大学 2018-11-16 CN 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
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
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
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

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 GFER 2862/4885CASP3 4329/4885SENP8 3803/4885
US-20090192158-A1 Methods for Treating or Preventing Neoplasias GSTO1, PTGS1, PTGES GFER 765/4885CASP3 1658/4885SENP8 2948/4885
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 GFER 2622/4885CASP3 4310/4885SENP8 3854/4885
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 GFER 2622/4885CASP3 4310/4885SENP8 3854/4885

“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.