SCHEMBL5164047

SCHEMBL5164047

COc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.65
SIRT2 Q8IXJ6 4/20 0.57
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.53
GSK3B P49841 4/20 0.53
GSK3A P49840 3/20 0.53
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
MCL1 Q07820 2/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
MITF O75030 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL5147260 0.86 BRAF (0.69) BRAFSIRT2KMT2AMEN1POLB
SCHEMBL3895207 0.84 GSK3B (0.67) KMT2AMEN1GSK3BGSK3ALMNA
SCHEMBL5164183 0.84 GSK3B (0.67) KMT2AMEN1GSK3BGSK3ALMNA
SCHEMBL3895202 0.84 GSK3B (0.67) KMT2AMEN1GSK3BGSK3ALMNA
SCHEMBL31061383 0.83 SIRT2 (0.75) BRAFSIRT2KMT2AMEN1POLB
SCHEMBL13056375 0.83 SIRT2 (0.75) BRAFSIRT2KMT2AMEN1POLB
SCHEMBL6392536 0.82 MAPT (0.54) BRAFKMT2AMEN1POLBL3MBTL1
SCHEMBL5162914 0.81 BRAF (0.64) BRAFSIRT2KMT2AMEN1POLB
SCHEMBL3769626 0.80 GSK3B (0.72) BRAFSIRT2KMT2AMEN1POLB
SCHEMBL1065118 0.77 MAPT (0.80) BRAFKMT2AMEN1POLBL3MBTL1

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
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
US-20050245568-A1 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2005-11-03 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 (2 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-20050245568-A1 Process for making montelukast and intermediates therefor CYP51A1, GPR17, CYP27A1 BRAF 3572/4885SIRT2 2281/4885KMT2A 4165/4885
US-20050282840-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 BRAF 4079/4885SIRT2 1915/4885KMT2A 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.