SCHEMBL12872121

SCHEMBL12872121

[C-]#[N+]CC(C)C(C(=O)Nc1cccc2c1CC(C(=O)O)C2)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL12871791 0.94 MAOB (0.31) MAOB
SCHEMBL1080676 0.92 PARP1 (0.36) MAOBPKM
SCHEMBL1080257 0.91 MAOB (0.35) MAOBPKM
SCHEMBL1178111 0.90 MAOB (0.33) MAOBPKM
SCHEMBL1178050 0.89 MAOB (0.35) MAOBPKM
SCHEMBL1080315 0.86 PARP1 (0.35) MAOBPKM
SCHEMBL1079550 0.85 MAOB (0.34) MAOBPKM
SCHEMBL1177822 0.85 MAOB (0.32) MAOBPKM
SCHEMBL1178136 0.83 MAOB (0.34) MAOBPKM
SCHEMBL12872156 0.83 PTGES (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 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 (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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 MAOB 147/4885PKM 936/4885

“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.