SCHEMBL3544941

SCHEMBL3544941

O=C(O)CCC(=O)n1nnc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.60
GAA P10253 5/20 0.59
MGAM O43451 4/20 0.59
AMY1A P0DUB6 4/20 0.59
SI P14410 4/20 0.59
MGAM2 Q2M2H8 4/20 0.59
HPGD P15428 3/20 0.59
KMT2A Q03164 3/20 0.59
F2 P00734 2/20 0.59
SLC9A1 P19634 1/20 0.59
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
DGAT1 O75907 1/20 0.53
LMNA P02545 1/20 0.52
KCNMA1 Q12791 1/20 0.51
CYP4Z1 Q86W10 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2B6 P20813 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
SCHEMBL6819737 0.89 CYP4Z1 (0.61) EGLN3GAAMGAMAMY1ASI
SCHEMBL6814131 0.89 CYP4Z1 (0.61) EGLN3GAAMGAMAMY1ASI
SCHEMBL17814919 0.86 KMT2A (0.60) GAAMGAMAMY1ASIMGAM2
SCHEMBL3120377 0.84 ASAH1 (0.60) EGLN3GAAMGAMAMY1ASI
SCHEMBL535388 0.84 KMT2A (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL2489579 0.84 KMT2A (0.55) EGLN3GAAMGAMAMY1ASI
Malonic Acid SCHEMBL8211367 0.82 GAA (0.61) EGLN3GAAMGAMAMY1ASI
SCHEMBL23780256 0.81 KMT2A (0.62) GAAMGAMAMY1ASIMGAM2
SCHEMBL3130159 0.81 GAA (0.59) EGLN3GAAMGAMAMY1ASI
SCHEMBL3252264 0.80 HPGD (0.61) EGLN3GAAMGAMAMY1ASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 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 (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-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 EGLN3 656/4885GAA 3764/4885MGAM 4832/4885

“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.