SCHEMBL4080875

SCHEMBL4080875

O=C(O)CCc1cccc2c1N(O)c1ccccc1S2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
BCHE P06276 10/20 0.46
ACHE P22303 4/20 0.46
ADRB3 P13945 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NOX1 Q9Y5S8 1/20 0.43
POLB P06746 2/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40

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
Phosphoric Acid SCHEMBL6395405 0.95 MEN1 (0.48) MEN1KMT2ALMNABCHEACHE
SCHEMBL4088094 0.88 NOX1 (0.42) MEN1KMT2ALMNABCHEACHE
SCHEMBL4343072 0.80 NOX1 (0.39) MEN1KMT2ALMNABCHEACHE
SCHEMBL4085498 0.79 MEN1 (0.45) MEN1KMT2ALMNABCHEACHE
SCHEMBL4080999 0.78 NOX1 (0.40) MEN1KMT2ALMNABCHEACHE
SCHEMBL7026702 0.77 MEN1 (0.38) MEN1KMT2ALMNABCHEACHE
SCHEMBL4088074 0.75 BCHE (0.38) MEN1KMT2ALMNABCHEACHE
SCHEMBL6262674 0.72 MEN1 (0.52) MEN1KMT2ALMNABCHEACHE
SCHEMBL9818558 0.70 LMNA (0.50) MEN1KMT2ALMNABCHEACHE
SCHEMBL179882 0.69 MEN1 (1.00) MEN1KMT2ALMNABCHEACHE

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-1224505-B1 ELECTROCHROMIC DEVICE UNIV DUBLIN (IE) 2005-01-12 EP claimed
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 MEN1 3335/4885KMT2A 161/4885LMNA 3597/4885

“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.