SCHEMBL5169574

SCHEMBL5169574

CCN1C(=O)SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.62
DUSP3 P51452 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
STAT3 P40763 1/20 0.55
ITGB2 P05107 2/20 0.54
ITGAM P11215 2/20 0.54
PTPN22 Q9Y2R2 2/20 0.54
PTPN12 Q05209 1/20 0.54
ENPP2 Q13822 1/20 0.49
BRAF P15056 1/20 0.48
AKR1B1 P15121 1/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL5169570 1.00 MAP3K5 (0.62) MAP3K5DUSP3MEN1KMT2ASTAT3
SCHEMBL5167082 0.85 ITGB2 (0.77) MAP3K5MEN1KMT2AITGB2ITGAM
SCHEMBL5167090 0.85 ITGB2 (0.77) MAP3K5MEN1KMT2AITGB2ITGAM
SCHEMBL5143138 0.85 PTPN22 (0.66) MAP3K5MEN1KMT2AITGB2ITGAM
SCHEMBL5143140 0.85 PTPN22 (0.66) MAP3K5MEN1KMT2AITGB2ITGAM
SCHEMBL17088410 0.84 ITGB2 (0.71) MEN1KMT2ASTAT3ITGB2ITGAM
SCHEMBL5160926 0.82 MEN1 (0.67) MEN1KMT2AITGB2ITGAMMAPT
SCHEMBL5160915 0.82 MEN1 (0.67) MEN1KMT2AITGB2ITGAMMAPT
SCHEMBL5146767 0.81 STAT3 (0.80) MEN1KMT2ASTAT3ITGB2ITGAM
SCHEMBL5146772 0.81 STAT3 (0.80) MEN1KMT2ASTAT3ITGB2ITGAM

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 MAP3K5 2933/4885DUSP3 1894/4885MEN1 4004/4885

“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.