SCHEMBL5147292

SCHEMBL5147292

O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.71
BRAF P15056 5/20 0.69
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
POLB P06746 4/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
MAPT P10636 2/20 0.62
MCL1 Q07820 2/20 0.62
HPGD P15428 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
GSK3A P49840 2/20 0.57
GSK3B P49841 2/20 0.57
RET P07949 2/20 0.54
DUSP3 P51452 1/20 0.52
PIK3CA P42336 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 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
SCHEMBL12632706 0.90 GSK3A (0.61) PIK3CGBRAFKMT2AMEN1POLB
SCHEMBL6397908 0.87 BRAF (0.69) PIK3CGBRAFKMT2AMEN1POLB
SCHEMBL3760822 0.83 PIK3CG (0.61) PIK3CGBRAFKMT2AMEN1POLB
SCHEMBL3760817 0.83 PIK3CG (0.61) PIK3CGBRAFKMT2AMEN1POLB
SCHEMBL3760819 0.83 PIK3CG (0.61) PIK3CGBRAFKMT2AMEN1POLB
SCHEMBL15299526 0.83 PIK3CG (1.00) PIK3CGKMT2AMEN1POLBL3MBTL1
SCHEMBL6393236 0.83 PIK3CG (1.00) PIK3CGKMT2AMEN1POLBL3MBTL1
SCHEMBL6393214 0.83 PIK3CG (1.00) PIK3CGKMT2AMEN1POLBL3MBTL1
SCHEMBL3771633 0.83 GSK3A (0.80) PIK3CGBRAFKMT2AMEN1POLB
SCHEMBL31358762 0.81 PIK3CG (0.60) PIK3CGBRAFKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008002641-A2 PROTEIN PHOSPHATASE INHIBITORS THE CLEVELAND CLINIC FOUNDATION (US) 2008-01-03 WO disclosed
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 2749/4885BRAF 4079/4885KMT2A 4410/4885

“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.