SCHEMBL2813769

SCHEMBL2813769

O=C(O)c1nc2c(N3CCCC3=O)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.40
CYP3A4 P08684 1/20 0.38
LRRK2 Q5S007 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
PRKDC P78527 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
NME2 P22392 1/20 0.36
CFTR P13569 1/20 0.36
MAPK14 Q16539 1/20 0.36
POLB P06746 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL1222306 0.92 MRGPRX4 (0.43) ALKBH1CYP3A4LRRK2SLCO1B1MEN1
SCHEMBL13935109 0.88 ALKBH1 (0.39) ALKBH1CYP3A4LRRK2SLCO1B1MEN1
SCHEMBL2817380 0.86 ALKBH1 (0.38) ALKBH1CYP3A4LRRK2SLCO1B1MEN1
SCHEMBL12505491 0.86 ALKBH1 (0.42) ALKBH1CYP3A4LRRK2SLCO1B1MEN1
SCHEMBL1221548 0.85 MEN1 (0.35) ALKBH1CYP3A4LRRK2SLCO1B1MEN1
SCHEMBL2880400 0.84 ALKBH1 (0.39) ALKBH1CYP3A4LRRK2SLCO1B1MEN1
SCHEMBL1221748 0.84 ALKBH1 (0.42) ALKBH1CYP3A4LRRK2SLCO1B1MEN1
SCHEMBL369160 0.83 MAPK1 (0.41) LRRK2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL2866436 0.83 ALKBH1 (0.39) ALKBH1CYP3A4LRRK2SLCO1B1MEN1
SCHEMBL1222271 0.82 CYP3A4 (0.44) ALKBH1CYP3A4LRRK2SLCO1B1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 EP disclosed
EP-2212324-B1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LTD (AU) 2014-03-26 EP disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 US disclosed
US-8318732-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2012-11-27 US disclosed
EP-2212324-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES Avexa Limited (AU) 2010-08-04 EP disclosed
WO-2010000032-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2010-01-07 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-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 ALKBH1 497/4885CYP3A4 248/4885LRRK2 3053/4885

“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.