SCHEMBL5145222

SCHEMBL5145222

Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)o1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.62
PLG P00747 1/20 0.59
MAPT P10636 2/20 0.56
APEX1 P27695 1/20 0.56
PTPN22 Q9Y2R2 2/20 0.56
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL3890728 1.00 MAP3K5 (0.62) MAP3K5PLGMAPTAPEX1PTPN22
SCHEMBL3890731 1.00 MAP3K5 (0.62) MAP3K5PLGMAPTAPEX1PTPN22
SCHEMBL14860504 0.93 MAP3K5 (0.62) MAP3K5PLGMAPTAPEX1PTPN22
SCHEMBL23433479 0.93 MAP3K5 (0.62) MAP3K5PLGMAPTAPEX1PTPN22
SCHEMBL14860506 0.93 MAP3K5 (0.62) MAP3K5PLGMAPTAPEX1PTPN22
SCHEMBL3896520 0.87 POLB (0.57) MAP3K5MAPTPTPN22MEN1POLB
SCHEMBL3896523 0.87 POLB (0.57) MAP3K5MAPTPTPN22MEN1POLB
SCHEMBL3904803 0.85 MAP3K5 (0.82) MAP3K5MAPTAPEX1PTPN22
SCHEMBL3904806 0.85 MAP3K5 (0.82) MAP3K5MAPTAPEX1PTPN22
SCHEMBL3893802 0.84 ALDH1A1 (0.56) MAP3K5MAPTPTPN22MEN1POLB

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 2933/4885PLG 479/4885MAPT 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.