SCHEMBL5158084

SCHEMBL5158084

O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
POLB P06746 4/20 0.66
CASP6 P55212 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CA12 O43570 6/20 0.60
CA1 P00915 6/20 0.60
CA2 P00918 6/20 0.60
CA9 Q16790 6/20 0.60
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
MITF O75030 1/20 0.52
LMNA P02545 1/20 0.52
SCN2A Q99250 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
CLTC Q00610 2/20 0.46
PABPC1 P11940 2/20 0.45
FTO Q9C0B1 2/20 0.45
NTRK1 P04629 1/20 0.45
NGFR P08138 1/20 0.45

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
SCHEMBL5160572 0.94 CA12 (0.69) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL5533607 0.88 CA12 (0.65) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL5533314 0.85 CA12 (0.79) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL5527165 0.80 ALDH1A1 (0.46) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL5167037 0.80 MEN1 (1.00) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL5161960 0.78 MEN1 (0.65) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL14502330 0.78 NPC1 (0.61) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL5144919 0.78 SCN2A (0.70) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL10082294 0.77 CA12 (0.61) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL717142 0.76 CA12 (0.74) MEN1KMT2APOLBCASP6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US claimed
WO-2007030939-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO claimed
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US disclosed
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US disclosed
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US disclosed
WO-2007030939-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 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-20070123514-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 MEN1 3865/4885KMT2A 4267/4885POLB 2736/4885

“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.