SCHEMBL5533607

SCHEMBL5533607

O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.65
CA9 Q16790 8/20 0.65
CA1 P00915 7/20 0.65
CA2 P00918 7/20 0.65
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 4/20 0.58
CASP6 P55212 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
MITF O75030 1/20 0.53
LMNA P02545 1/20 0.53
SCN2A Q99250 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
CLTC Q00610 2/20 0.44
NTRK1 P04629 1/20 0.43
NGFR P08138 1/20 0.43
PABPC1 P11940 1/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL5533314 0.92 CA12 (0.79) CA12CA9CA1CA2MEN1
SCHEMBL5158084 0.88 MEN1 (0.66) CA12CA9CA1CA2MEN1
SCHEMBL11845694 0.84 CA12 (0.76) CA12CA9CA1CA2MAPT
SCHEMBL5160572 0.82 CA12 (0.69) CA12CA9CA1CA2MEN1
SCHEMBL5158834 0.82 MEN1 (0.76) CA12CA9CA1CA2MEN1
SCHEMBL14580958 0.80 CA2 (0.60) CA12CA9CA1CA2MEN1
SCHEMBL5166753 0.80 CA9 (0.49) CA12CA9CA1CA2MEN1
SCHEMBL14159191 0.77 CA12 (0.73) CA12CA9CA1CA2MEN1
SCHEMBL5995432 0.76 CA1 (0.53) CA12CA9CA1CA2MEN1
SCHEMBL5161960 0.75 MEN1 (0.65) CA12CA9CA1CA2MEN1

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
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US 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 CA12 1700/4885CA9 3754/4885CA1 847/4885

“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.