SCHEMBL4088094

SCHEMBL4088094

O=C(Cl)CCc1cccc2c1N(O)c1ccccc1S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.42
BCHE P06276 12/20 0.42
ACHE P22303 4/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRB3 P13945 1/20 0.40
HRH2 P25021 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.38
HDAC1 Q13547 1/20 0.38
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4080875 0.88 MEN1 (0.52) NOX1BCHEACHEMEN1LMNA
Phosphoric Acid SCHEMBL6395405 0.83 MEN1 (0.48) NOX1BCHEACHEMEN1LMNA
SCHEMBL4343072 0.78 NOX1 (0.39) NOX1BCHEACHEMEN1LMNA
SCHEMBL4080999 0.77 NOX1 (0.40) NOX1BCHEACHEMEN1LMNA
SCHEMBL7026702 0.76 MEN1 (0.38) NOX1BCHEACHEMEN1LMNA
SCHEMBL4088074 0.71 BCHE (0.38) NOX1BCHEACHEMEN1LMNA
SCHEMBL13722563 0.70 MEN1 (0.73) BCHEMEN1LMNAKMT2AHDAC6
SCHEMBL6767771 0.68 MAOA (0.58) NOX1BCHEACHEMEN1LMNA
SCHEMBL4085498 0.68 MEN1 (0.45) NOX1BCHEACHEMEN1LMNA
SCHEMBL7402258 0.68 SLC6A4 (0.40) NOX1BCHEADRA1DHTR2ASLC6A4

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-20050128561-A1 Electrochromic compound UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND 2005-06-16 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-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 NOX1 2876/4885BCHE 1722/4885ACHE 494/4885

“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.