SCHEMBL5164943

SCHEMBL5164943

COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=S)N(C)C2=O)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
POLB P06746 5/20 0.57
ALDH1A1 P00352 4/20 0.57
MCL1 Q07820 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TDP1 Q9NUW8 2/20 0.55
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.53
PIK3CG P48736 3/20 0.51
F5 P12259 1/20 0.50
XPA P23025 1/20 0.49
MAP3K5 Q99683 2/20 0.49
GSK3B P49841 1/20 0.49
PIK3CA P42336 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
PTPN12 Q05209 1/20 0.47
PTPN22 Q9Y2R2 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
SCHEMBL5164940 1.00 MAPT (0.57) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL3893802 0.87 ALDH1A1 (0.56) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL3893810 0.87 ALDH1A1 (0.56) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL5147353 0.83 PIK3CG (0.74) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL5147349 0.83 PIK3CG (0.74) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL5160926 0.82 MEN1 (0.67) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL5160915 0.82 MEN1 (0.67) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL3906963 0.82 POLB (0.71) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL4248327 0.82 POLB (0.71) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL4248324 0.82 POLB (0.71) MAPTMEN1KMT2APOLBALDH1A1

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 MAPT 2096/4885MEN1 4004/4885KMT2A 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.