SCHEMBL5147353

SCHEMBL5147353

COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=S)NC2=O)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.74
PIK3CA P42336 1/20 0.71
GSK3B P49841 5/20 0.70
GSK3A P49840 4/20 0.56
F5 P12259 1/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
POLB P06746 2/20 0.55
CASP3 P42574 1/20 0.52
BLM P54132 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
INSR P06213 1/20 0.52
IGF1R P08069 1/20 0.52
MAPT P10636 2/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL5147349 1.00 PIK3CG (0.74) PIK3CGPIK3CAGSK3BGSK3AF5
SCHEMBL3898790 0.87 PIK3CG (0.78) PIK3CGPIK3CAGSK3BGSK3AMEN1
SCHEMBL5146807 0.87 PIK3CG (0.78) PIK3CGPIK3CAGSK3BGSK3AMEN1
SCHEMBL3898789 0.87 PIK3CG (0.78) PIK3CGPIK3CAGSK3BGSK3AMEN1
SCHEMBL5168014 0.85 PIK3CG (0.78) PIK3CGPIK3CAGSK3BGSK3AMEN1
SCHEMBL6393236 0.85 PIK3CG (1.00) PIK3CGPIK3CAGSK3BGSK3AMEN1
SCHEMBL6393214 0.85 PIK3CG (1.00) PIK3CGPIK3CAGSK3BGSK3AMEN1
SCHEMBL5162801 0.85 PIK3CG (0.78) PIK3CGPIK3CAGSK3BGSK3AMEN1
SCHEMBL15299526 0.85 PIK3CG (1.00) PIK3CGPIK3CAGSK3BGSK3AMEN1
SCHEMBL5168019 0.85 PIK3CG (0.78) PIK3CGPIK3CAGSK3BGSK3AMEN1

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 PIK3CG 2749/4885PIK3CA 3916/4885GSK3B 2118/4885

“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.