SCHEMBL3052016

SCHEMBL3052016

Cn1c(C(=O)N2CCNCC2)cc2cc(Oc3ccc([N+](=O)[O-])cn3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.47
SCN7A Q01118 7/20 0.47
KCNH2 Q12809 7/20 0.47
SCN10A Q9Y5Y9 6/20 0.46
SCN5A Q14524 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN8A Q9UQD0 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSPB1 P04792 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3066289 0.93 SCN9A (0.47) SCN9ASCN7AKCNH2SCN10ASCN5A
SCHEMBL3047375 0.86 MAPT (0.45) SCN9AMAPTALDH1A1TDP1LMNA
SCHEMBL3061058 0.84 STAT3 (0.48) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3060710 0.83 STAT3 (0.51) LMNASMN1; SMN2
SCHEMBL3064467 0.83 L3MBTL1 (0.55) MAPTALDH1A1TDP1LMNAMAPK1
SCHEMBL3059944 0.81 STAT3 (0.46)
SCHEMBL3067886 0.80 STAT3 (0.56)
SCHEMBL3056036 0.80 ALDH1A1 (0.53) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL3056799 0.79 ALDH1A1 (0.45) SCN9AMAPTALDH1A1TDP1LMNA
SCHEMBL3050877 0.78 SETD7 (0.39) SCN9ASCN7AKCNH2SCN5AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 SCN9A 2616/4885SCN7A 3238/4885KCNH2 2865/4885

“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.