SCHEMBL5161960

SCHEMBL5161960

O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA9 Q16790 3/20 0.60
POLB P06746 7/20 0.58
TDP1 Q9NUW8 2/20 0.58
CLTC Q00610 2/20 0.56
BRD1 O95696 1/20 0.53
TAF1 P21675 1/20 0.53
BRPF1 P55201 1/20 0.53
PABPC1 P11940 2/20 0.50
FTO Q9C0B1 2/20 0.50
NTRK1 P04629 1/20 0.50
NGFR P08138 1/20 0.50
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
S1PR1 P21453 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL5165928 0.84 MEN1 (0.64) MEN1KMT2ACA12CA1CA2
SCHEMBL5160572 0.84 CA12 (0.69) MEN1KMT2ACA12CA1CA2
SCHEMBL5533314 0.84 CA12 (0.79) MEN1KMT2ACA12CA1CA2
SCHEMBL5167105 0.80 POLB (0.65) MEN1KMT2ACA12CA1CA2
SCHEMBL5158084 0.78 MEN1 (0.66) MEN1KMT2ACA12CA1CA2
SCHEMBL4234742 0.76 CLTC (0.78) MEN1KMT2ACA12CA1CA2
SCHEMBL5533607 0.75 CA12 (0.65) MEN1KMT2ACA12CA1CA2
SCHEMBL7703786 0.74 MEN1 (0.67) MEN1KMT2ACA12CA1CA2
SCHEMBL717142 0.74 CA12 (0.74) MEN1KMT2ACA12CA1CA2
SCHEMBL5163775 0.73 MEN1 (0.66) MEN1KMT2ACA12CA1CA2

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 4267/4885CA12 1700/4885

“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.