SCHEMBL3675740

SCHEMBL3675740

O=C1CC(OC(=O)c2cccnc2)C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 6/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
NLRP3 Q96P20 1/20 0.43
LMNA P02545 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL1068302 0.83 GAA (0.48) ALDH1A1KMT2AMEN1LMNAGAA
Ammonia Solution, Strong SCHEMBL9774304 0.81 GAA (0.47) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL5320949 0.81 HTT (0.42) ALDH1A1KDM4EGAA
SCHEMBL660307 0.77 GAA (0.43) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL8997420 0.74 HTT (0.35) MAPTLMNAGAA
Inositol Niacinate SCHEMBL122590 0.74 ALDH1A1 (0.65) ALDH1A1KMT2AL3MBTL1MAPTKDM4E
Inositol Niacinate SCHEMBL122591 0.74 ALDH1A1 (0.65) ALDH1A1KMT2AL3MBTL1MAPTKDM4E
Inositol Niacinate SCHEMBL29499769 0.74 ALDH1A1 (0.65) ALDH1A1KMT2AL3MBTL1MAPTKDM4E
Inositol Niacinate SCHEMBL13557040 0.74 ALDH1A1 (0.65) ALDH1A1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL21243069 0.73 ALDH1A1 (0.59) ALDH1A1KMT2AL3MBTL1MAPTLMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403300-B1 Polyisocyanate resins LANXESS DEUTSCHLAND GMBH (DE) 2007-01-03 EP claimed
EP-1403300-A1 Polyisocyanate resins Bayer Chemicals AG (DE) 2004-03-31 EP claimed
EP-3047277-A1 AUTOANTIBODY BIOMARKERS OF OVARIAN CANCER Adelaide Research & Innovation Pty Ltd. (AU) 2016-07-27 EP disclosed
WO-2015039175-A1 AUTOANTIBODY BIOMARKERS OF OVARIAN CANCER ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2015-03-26 WO disclosed
WO-2010109022-A1 QUANTITATIVE PROTEOMICS METHOD UNIVERSITETET I OSLO (NO) 2010-09-30 WO disclosed
EP-1392848-B1 PROCESS FOR ANALYZING PROTEIN SAMPLES PERSEPTIVE BIOSYSTEMS INC (US) 2007-01-03 EP disclosed
EP-1403300-B1 Polyisocyanate resins LANXESS DEUTSCHLAND GMBH (DE) 2007-01-03 EP disclosed
US-7045296-B2 Process for analyzing protein samples APPLERA CORPORATION (US) 2006-05-16 US disclosed
US-20050196823-A1 Methods and apparatus for gel-free qualitative and quantitative proteome analysis, and uses therefore PRONOTA NV (BE) 2005-09-08 US disclosed
EP-1392848-A4 PROCESS FOR ANALYZING PROTEIN SAMPLES PERSEPTIVE BIOSYSTEMS INC (US) 2005-06-22 EP disclosed
US-6908740-B2 Methods and apparatus for gel-free qualitative and quantitative proteome analysis, and uses therefore MYCARTIS NV (BE) 2005-06-21 US disclosed
EP-1403300-A1 Polyisocyanate resins Bayer Chemicals AG (DE) 2004-03-31 EP disclosed
EP-1402268-A2 CHEMICAL CAPTURE REAGENT Amersham Biosciences UK Limited (GB) 2004-03-31 EP disclosed
EP-1392848-A2 PROCESS FOR ANALYZING PROTEIN SAMPLES PerSeptive Biosystems, Inc. (US) 2004-03-03 EP disclosed
US-20040005633-A1 Methods and apparatuses for gel-free qualitative and quantitative proteome analysis, and uses therefore MYCARTIS NV (BE) 2004-01-08 US disclosed
EP-1370571-A2 METHODS AND APPARATUS FOR GEL-FREE QUALITATIVE AND QUANTITATIVE PROTEOME ANALYSIS, AND USES THEREFOR Vlaams Interuniversitair Instituut voor Biotechnologie vzw. (BE) 2003-12-17 EP disclosed
WO-2003005026-A2 CHEMICAL CAPTURE REAGENT AMERSHAM BIOSCIENCES UK LIMITED (GB) 2003-01-16 WO disclosed
US-20020192720-A1 Process for analyzing protein samples APPLIED BIOSYSTEMS, LLC 2002-12-19 US disclosed
WO-2002090929-A2 PROCESS FOR ANALYZING PROTEIN SAMPLES PERSEPTIVE BIOSYSTEMS, INC. (US) 2002-11-14 WO disclosed
WO-2002077016-A2 METHODS AND APPARATUS FOR GEL-FREE QUALITATIVE AND QUANTITATIVE PROTEOME ANALYSIS, AND USES THEREFORE VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) 2002-10-03 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-20040005633-A1 Methods and apparatuses for gel-free qualitative and quantitative proteome analysis, and uses therefore PTMS, ANPEP, DNPEP ALDH1A1 4642/4885KMT2A 4044/4885L3MBTL1 2715/4885

“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.