SCHEMBL6763196

SCHEMBL6763196

[C-]#[N+]c1cccc(Oc2ccc([N+](=O)[O-])c(C[C@H](N)C(=O)O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.40
PTPRA P18433 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP2C19 P33261 1/20 0.36
KMO O15229 1/20 0.36

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
SCHEMBL15541594 0.87 GRIA2 (0.46) GRIA2PTPRAKDM4ECYP2C19
SCHEMBL28005090 0.87 GRIA2 (0.46) GRIA2PTPRAKDM4ECYP2C19
SCHEMBL3774503 0.81 SCN9A (0.41) GRIA2PTPRAKDM4E
SCHEMBL15540819 0.81 PPARG (0.47) GRIA2
SCHEMBL6762817 0.80 SCN9A (0.47)
SCHEMBL3775959 0.77 GRIA2 (0.48) GRIA2PTPRA
SCHEMBL3775956 0.77 GRIA2 (0.48) GRIA2PTPRA
SCHEMBL6762820 0.73 GRIA2 (0.50) GRIA2PTPRACYP2C19
SCHEMBL2143592 0.71 GRIA2 (0.50) GRIA2PTPRAKDM4ECYP2C19
SCHEMBL21061874 0.71 GRIA2 (0.56) GRIA2PTPRACYP2C19

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-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B GRIA2 46/4885PTPRA 3943/4885KDM4E 1109/4885

“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.