SCHEMBL3774503

SCHEMBL3774503

N#Cc1cccc(Oc2ccc([N+](=O)[O-])c(C[C@H](N)C(=O)O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
GRIA2 P42262 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PGR P06401 1/20 0.39
GPR34 Q9UPC5 1/20 0.39
GRM4 Q14833 1/20 0.39
EGLN2 Q96KS0 3/20 0.38
EGLN1 Q9GZT9 3/20 0.38
PTPRA P18433 1/20 0.38

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
SCHEMBL28005090 0.87 GRIA2 (0.46) SCN9AGRIA2KDM4EPTPRA
SCHEMBL15541594 0.87 GRIA2 (0.46) SCN9AGRIA2KDM4EPTPRA
SCHEMBL6763196 0.81 GRIA2 (0.40) GRIA2KDM4EPTPRA
SCHEMBL15540819 0.81 PPARG (0.47) GRIA2
SCHEMBL3781272 0.80 SCN9A (0.47) SCN9AGPR34EGLN2
SCHEMBL3775956 0.77 GRIA2 (0.48) GRIA2PTPRA
SCHEMBL3775959 0.77 GRIA2 (0.48) GRIA2PTPRA
SCHEMBL20982744 0.76 MAPT (0.49) KDM4EPGR
SCHEMBL31176940 0.76 MAPT (0.49) KDM4EPGR
SCHEMBL6578552 0.75 MERTK (0.53) GRIA2KDM4EPGR

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
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
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 SCN9A 1463/4885GRIA2 46/4885KDM4E 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.