SCHEMBL5166576

SCHEMBL5166576

Cc1cc(-c2ccc(C=C3NC(=S)NC3=O)o2)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 10/20 0.69
GSK3B P49841 10/20 0.69
MAPT P10636 3/20 0.67
MCL1 Q07820 2/20 0.67
LMNA P02545 1/20 0.67
RECQL P46063 1/20 0.67
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 1/20 0.59
HPGD P15428 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALPL P05186 1/20 0.57
DUSP3 P51452 1/20 0.56
BRAF P15056 3/20 0.55
PRF1 P14222 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.48

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
SCHEMBL5166572 1.00 GSK3A (0.69) GSK3AGSK3BMAPTMCL1LMNA
SCHEMBL1065118 0.92 MAPT (0.80) GSK3AGSK3BMAPTMCL1LMNA
SCHEMBL1065120 0.92 MAPT (0.80) GSK3AGSK3BMAPTMCL1LMNA
SCHEMBL5163450 0.85 GSK3A (0.74) GSK3AGSK3BMAPTMCL1LMNA
SCHEMBL5163453 0.85 GSK3A (0.74) GSK3AGSK3BMAPTMCL1LMNA
SCHEMBL13389118 0.85 GSK3A (0.72) GSK3AGSK3BMAPTMCL1LMNA
SCHEMBL3899187 0.82 GSK3B (0.62) GSK3AGSK3BMAPTMCL1LMNA
SCHEMBL3899184 0.82 GSK3B (0.62) GSK3AGSK3BMAPTMCL1LMNA
SCHEMBL5147260 0.82 BRAF (0.69) GSK3AGSK3BMAPTMCL1LMNA
SCHEMBL5145111 0.81 MAPT (0.68) MAPTMCL1LMNARECQLMEN1

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
EP-1718308-A4 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORP (CA) 2007-07-18 EP disclosed
EP-1718308-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2006-11-08 EP disclosed
US-20050282840-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2005-12-22 US disclosed
WO-2005076695-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2005-08-25 WO 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-20050282840-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 GSK3A 2087/4885GSK3B 2118/4885MAPT 2096/4885

“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.