SCHEMBL4079882

SCHEMBL4079882

CC(CO)c1cccc2c1N(O)c1ccccc1S2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.44
PTGS2 P35354 2/20 0.44
BCHE P06276 9/20 0.41
NOX1 Q9Y5S8 1/20 0.41
CYP2D6 P10635 4/20 0.39
HTR1A P08908 4/20 0.39
DRD3 P35462 4/20 0.39
CHRM2 P08172 3/20 0.39
ADRA2A P08913 3/20 0.39
CHRM1 P11229 3/20 0.39
DRD1 P21728 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
ADRA1A P35348 3/20 0.39
OPRM1 P35372 3/20 0.39
KCNH2 Q12809 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL4080952 0.83 BCHE (0.40) PTGS1PTGS2BCHENOX1CYP2D6
SCHEMBL7620961 0.82 PTGS1 (0.43) PTGS1PTGS2BCHENOX1CYP2D6
SCHEMBL2496191 0.80 BCHE (0.38) PTGS1PTGS2BCHENOX1CYP2D6
SCHEMBL5070736 0.79 BCHE (0.37) PTGS1PTGS2BCHENOX1CYP2D6
SCHEMBL5073280 0.75 BCHE (0.40) PTGS1PTGS2BCHENOX1CYP2D6
SCHEMBL6767771 0.70 MAOA (0.58) PTGS1PTGS2BCHENOX1LMNA
SCHEMBL20345839 0.68 PTGS1 (0.54) PTGS1PTGS2BCHENOX1CYP2D6
SCHEMBL3043989 0.68 TSHR (0.50) PTGS1SLC6A2LMNACYP1A2ALDH1A1
SCHEMBL9759954 0.65 PTGS1 (0.40) PTGS1PTGS2BCHENOX1CYP2D6
SCHEMBL4080875 0.65 MEN1 (0.52) BCHENOX1CYP2D6SLC6A4LMNA

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
US-7576201-B2 Electrochromic compound NTERA LIMITED (IE) 2009-08-18 US disclosed
US-20080167465-A1 Electrochromic compound FITZMAURICE DONALD 2008-07-10 US disclosed
US-7358358-B2 Electrochromic compound NTERA LIMITED (IE) 2008-04-15 US disclosed
US-7253940-B2 Nanoporous and nanocrystalline film and electrochromic device UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND (IE) 2007-08-07 US disclosed
US-20050128562-A1 Nanoporous and nanocrystalline film and electrochromic device UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND 2005-06-16 US disclosed
US-20050128561-A1 Electrochromic compound UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND 2005-06-16 US disclosed
US-6870657-B1 Electrochromic device UNIVERSITY COLLEGE DUBLIN (IE) 2005-03-22 US disclosed
EP-1500969-A1 Compound and its use in electrochromic devices UNIVERSITY COLLEGE DUBLIN (IE) 2005-01-26 EP disclosed
EP-1224505-A1 ELECTROCHROMIC DEVICE UNIVERSITY COLLEGE DUBLIN (IE) 2002-07-24 EP disclosed
WO-2001027690-A2 ELECTROCHROMIC DEVICE UNIVERSITY COLLEGE DUBLIN (IE) 2001-04-19 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 (1 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-20080167465-A1 Electrochromic compound KCNH2, PRDM9, H1-10 PTGS1 3369/4885PTGS2 2658/4885BCHE 1722/4885

“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.