SCHEMBL3544944

SCHEMBL3544944

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
APAF1 O14727 1/20 0.48
EGLN3 Q9H6Z9 1/20 0.44
GAA P10253 7/20 0.43
MGAM O43451 5/20 0.43
AMY1A P0DUB6 5/20 0.43
SI P14410 5/20 0.43
MGAM2 Q2M2H8 5/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 3/20 0.43
F2 P00734 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC9A1 P19634 1/20 0.43
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
HCAR3 P49019 3/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL10083070 0.82 POLB (0.50) POLBAPAF1EGLN3GAAMGAM
SCHEMBL513851 0.82 POLB (0.50) POLBAPAF1EGLN3GAAMGAM
SCHEMBL345734 0.77 POLB (0.50) POLBAPAF1EGLN3GAAMGAM
SCHEMBL9091462 0.75 POLB (0.51) POLBAPAF1EGLN3GAAMGAM
SCHEMBL27807168 0.74 POLB (0.50) POLBAPAF1EGLN3GAAMGAM
SCHEMBL5790948 0.74 POLB (0.57) POLBAPAF1EGLN3GAAMGAM
SCHEMBL10321886 0.74 POLB (0.47) POLBAPAF1EGLN3GAAMGAM
SCHEMBL1311735 0.72 POLB (0.46) POLBAPAF1EGLN3GAAMGAM
SCHEMBL1312663 0.72 POLB (0.46) POLBAPAF1EGLN3GAAMGAM
SCHEMBL1312900 0.72 POLB (0.46) POLBAPAF1EGLN3GAAMGAM

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 POLB 4463/4885APAF1 4593/4885EGLN3 656/4885

“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.