SCHEMBL4544366

SCHEMBL4544366

Cc1nc(CCOC=O)co1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.34

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
SCHEMBL13680919 0.77 DAO (0.36) DAO
SCHEMBL10771090 0.70
SCHEMBL27633950 0.69 SMN1; SMN2 (0.42)
SCHEMBL27884610 0.69 NOS3 (0.34)
SCHEMBL27499888 0.69 MAPT (0.39)
SCHEMBL4544335 0.69 PKM (0.43)
SCHEMBL5536236 0.68 NOS2 (0.43) DAO
SCHEMBL27514468 0.68
SCHEMBL28255460 0.68 SMN1; SMN2 (0.31)
SCHEMBL27414265 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150563-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-8648103-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-11 US disclosed
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-03 US 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-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPC1 DAO 3210/4885
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPPA DAO 2598/4885

“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.