SCHEMBL5162647

SCHEMBL5162647

O=C(O)c1cc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLTC Q00610 2/20 0.68
CA12 O43570 5/20 0.64
CA9 Q16790 5/20 0.64
CA1 P00915 3/20 0.64
CA2 P00918 3/20 0.64
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
POLB P06746 5/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
CASP6 P55212 2/20 0.63
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 3/20 0.51
NTRK1 P04629 1/20 0.51
NGFR P08138 1/20 0.51
THRB P10828 1/20 0.51
MCL1 Q07820 1/20 0.51
BRD1 O95696 1/20 0.49
TAF1 P21675 1/20 0.49
BRPF1 P55201 1/20 0.49
FTO Q9C0B1 2/20 0.48

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
SCHEMBL5538751 0.88 CLTC (0.64) CLTCCA12CA9CA1CA2
SCHEMBL4235535 0.84 CLTC (0.73) CLTCCA12CA9CA1CA2
SCHEMBL4235316 0.84 MEN1 (0.89) CLTCCA12CA9CA1CA2
SCHEMBL14159191 0.83 CA12 (0.73) CLTCCA12CA9CA1CA2
SCHEMBL5161227 0.82 MEN1 (0.75) CLTCCA12CA9CA1CA2
SCHEMBL717142 0.81 CA12 (0.74) CLTCCA12CA9CA1CA2
SCHEMBL4234742 0.81 CLTC (0.78) CLTCCA12CA9CA1CA2
SCHEMBL5160567 0.81 CLTC (0.84) CLTCCA12CA9CA1CA2
SCHEMBL14652566 0.81 CLTC (0.84) CLTCCA12CA9CA1CA2
SCHEMBL5144919 0.81 SCN2A (0.70) CLTCCA12CA9CA1CA2

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 CLTC 369/4885CA12 1700/4885CA9 3754/4885

“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.