SCHEMBL5529962

SCHEMBL5529962

O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
HTT P42858 3/20 0.68
GAA P10253 1/20 0.68
MAPK1 P28482 1/20 0.68
HSD17B10 Q99714 1/20 0.68
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA9 Q16790 3/20 0.62
KDM4E B2RXH2 4/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 4/20 0.56
CASP6 P55212 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
MITF O75030 1/20 0.54
LMNA P02545 1/20 0.54
CLTC Q00610 2/20 0.53
BRD1 O95696 1/20 0.53

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
Hydrochloric Acid SCHEMBL5150557 0.99 MAPT (0.67) MAPTHTTGAAMAPK1HSD17B10
SCHEMBL717142 0.85 CA12 (0.74) MAPTHTTCA12CA1CA2
SCHEMBL5144919 0.84 SCN2A (0.70) MAPTHTTCA12CA1CA2
SCHEMBL14159191 0.80 CA12 (0.73) MAPTHTTCA12CA1CA2
SCHEMBL12237994 0.79 FTO (0.69) MAPTHTTCA12CA1CA2
SCHEMBL5160042 0.78 CA12 (0.61) MAPTHTTCA12CA1CA2
SCHEMBL10082294 0.78 CA12 (0.61) MAPTHTTCA12CA1CA2
SCHEMBL4235316 0.78 MEN1 (0.89) MAPTHTTCA12CA1CA2
SCHEMBL5158038 0.77 MEN1 (0.72) MAPTHTTCA12CA1CA2
SCHEMBL5160572 0.77 CA12 (0.69) MAPTHTTCA12CA1CA2

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
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 MAPT 2611/4885HTT 1548/4885GAA 1774/4885

“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.