SCHEMBL1817894

SCHEMBL1817894

C[CH]OC(=O)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
KMT2A Q03164 8/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
APP P05067 1/20 0.53
GAA P10253 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52
LMNA P02545 4/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL9298218 0.84 ALDH1A1 (0.62) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL25411422 0.83 ALDH1A1 (0.62) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL2531432 0.82 ALDH1A1 (0.61) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL2907858 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL9207472 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AL3MBTL1APPGAA
Methyl Nicotinate SCHEMBL24566 0.79 ALDH1A1 (1.00) ALDH1A1KMT2AL3MBTL1APPGAA
Methyl Nicotinate SCHEMBL820747 0.79 ALDH1A1 (1.00) ALDH1A1KMT2AL3MBTL1APPGAA
Methyl Nicotinate SCHEMBL29386553 0.79 ALDH1A1 (1.00) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL4641797 0.79 ALDH1A1 (0.62) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL11878031 0.79 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1APPGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005730-A1 NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS MEDIVIR AB (SE) 2013-01-03 US claimed
WO-2011056126-A1 NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS NOVADEX PHARMACEUTICALS AB (SE) 2011-05-12 WO claimed
EP-0099438-A1 2-Functionalised diaryl as-triazines useful in therapy PIERRE FABRE S.A. (FR) 1984-02-01 EP claimed
US-20130005730-A1 NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS MEDIVIR AB (SE) 2013-01-03 US disclosed
EP-2499120-A1 NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS Novadex Pharmaceuticals AB (SE) 2012-09-19 EP disclosed
WO-2011056126-A1 NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS NOVADEX PHARMACEUTICALS AB (SE) 2011-05-12 WO disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
EP-0508549-B1 New triazolopyrimidine and pyrazolopyrimidine derivatives useful for treating cachexia SANKYO CO (JP) 1995-04-26 EP disclosed
EP-0347252-B1 METHOD OF TREATING CACHEXIA AND CERTAIN NEW COMPOUNDS FOR USE IN THIS METHOD SANKYO COMPANY LIMITED (JP) 1993-05-05 EP disclosed
EP-0508549-A2 New triazolopyrimidine and pyrazolopyrimidine derivatives useful for treating cachexia SANKYO COMPANY LIMITED (JP) 1992-10-14 EP disclosed
US-5086057-A METHOD OF TREATING CACHEXIA AND CERTAIN NEW COMPOUNDS FOR USE IN THIS METHOD SANKYO COMPANY LIMITED (JP) 1992-02-04 US disclosed
US-5055479-A For enhancing activity of lipoprotein lipase enzymes SANKYO COMPANY, LIMITED (JP) 1991-10-08 US disclosed
EP-0347252-A2 Method of treating cachexia and certain new compounds for use in this method SANKYO COMPANY LIMITED (JP) 1989-12-20 EP disclosed
EP-0254241-A1 Pyrazolopyridine compounds, their preparation and use Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-01-27 EP disclosed
EP-0123605-B1 N-CYCLOPROPYLMETHYL-2-OXO-3-DIPARAMETHOXYPHENYL-5,6-TRIAZINES, PROCESS FOR ITS PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS PIERRE FABRE S.A. (FR) 1986-11-05 EP disclosed
EP-0123605-A1 N-Cyclopropylmethyl-2-oxo-3-diparamethoxyphenyl-5,6-triazines, process for its preparation and their use as pharmaceutical preparations PIERRE FABRE S.A. (FR) 1984-10-31 EP disclosed
EP-0099438-A1 2-Functionalised diaryl as-triazines useful in therapy PIERRE FABRE S.A. (FR) 1984-02-01 EP disclosed
EP-0099438-A1 2-Functionalised diaryl as-triazines useful in therapy PIERRE FABRE S.A. (FR) 1984-02-01 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 (2 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-20130005730-A1 NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS REN, AGTR1, ACE ALDH1A1 273/4885KMT2A 4186/4885L3MBTL1 4710/4885
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 ALDH1A1 1514/4885KMT2A 4109/4885L3MBTL1 4678/4885

“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.