SCHEMBL3069682

SCHEMBL3069682

O=C(CCCC(C(=O)N1CCCCCC1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 5/20 0.40
NOD2 Q9HC29 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL3075156 0.86 PKM (0.43) L3MBTL1LMNAALDH1A1NOD2POLB
SCHEMBL3071483 0.83 HSD17B1 (0.48) LMNAKMT2AMEN1ALDH1A1POLB
SCHEMBL3071074 0.80 ALDH1A1 (0.46) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL3064539 0.73 GAA (0.48) L3MBTL1ALDH1A1
SCHEMBL3069429 0.71 ALDH1A1 (0.49) LMNAKMT2AMEN1ALDH1A1
SCHEMBL3066511 0.71 ALDH1A1 (0.49) L3MBTL1LMNAKMT2AMEN1ALDH1A1
SCHEMBL3058534 0.70 ALDH1A1 (0.47) LMNAALDH1A1POLBMAPT
SCHEMBL3063907 0.66 ALDH1A1 (0.44) LMNAKMT2AMEN1HPGDALDH1A1
SCHEMBL6925605 0.66 POLB (0.59) L3MBTL1LMNAALDH1A1POLB
SCHEMBL6925923 0.66 ALDH1A1 (0.58) L3MBTL1LMNAALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 US disclosed
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 US disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
EP-1922313-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-05-21 EP disclosed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 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 (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-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA3 L3MBTL1 3955/4885LMNA 3415/4885KMT2A 2676/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 L3MBTL1 4534/4885LMNA 3402/4885KMT2A 1337/4885

“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.